N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C157H173F6N33O16 — CID 159761403

IUPACN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCCO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CC[C@H]1C(=O)N1CC(C)(F)C1
InChIInChI=1S/C33H38FN7O3.C32H35FN6O4.C32H35FN6O3.C30H31F2N7O3.C30H34FN7O3/c1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)39-14-3-4-15-43-39)38(18-23)19-25-26(33)6-5-7-29(25)42-2;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)38-14-3-4-15-38)39(18-23)19-25-26(33)6-5-7-29(25)42-2;1-30(32)16-39(17-30)29(41)25-9-7-20(14-38(25)15-22-23(31)4-3-5-26(22)42-2)35-28(40)18-6-8-24-21(12-18)27(37-36-24)19-10-11-33-34-13-19;1-4-37(5-2)30(40)26-12-10-21(17-38(26)18-23-24(31)7-6-8-27(23)41-3)34-29(39)19-9-11-25-22(15-19)28(36-35-25)20-13-14-32-33-16-20/h4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);3-6,8,10-13,20,25H,7,9,14-17H2,1-2H3,(H,35,40)(H,36,37);6-9,11,13-16,21,26H,4-5,10,12,17-18H2,1-3H3,(H,34,39)(H,35,36)/t24-,29+;2*23-,28+;20-,25+;21-,26+/m11111/s1
InChIKeyNEXXWHIGPPMAFB-RDUSRNDSSA-N
MW2892.31 g/mol
LogP19.78
Rot. Bonds37

About N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 159761403) has the molecular formula C157H173F6N33O16 and a molecular weight of 2892.31 g/mol. Its IUPAC name is N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID159761403
Molecular FormulaC157H173F6N33O16
Molecular Weight2892.31 g/mol
Exact Mass2890.36
IUPAC NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCCO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CC[C@H]1C(=O)N1CC(C)(F)C1
InChIInChI=1S/C33H38FN7O3.C32H35FN6O4.C32H35FN6O3.C30H31F2N7O3.C30H34FN7O3/c1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)39-14-3-4-15-43-39)38(18-23)19-25-26(33)6-5-7-29(25)42-2;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)38-14-3-4-15-38)39(18-23)19-25-26(33)6-5-7-29(25)42-2;1-30(32)16-39(17-30)29(41)25-9-7-20(14-38(25)15-22-23(31)4-3-5-26(22)42-2)35-28(40)18-6-8-24-21(12-18)27(37-36-24)19-10-11-33-34-13-19;1-4-37(5-2)30(40)26-12-10-21(17-38(26)18-23-24(31)7-6-8-27(23)41-3)34-29(39)19-9-11-25-22(15-19)28(36-35-25)20-13-14-32-33-16-20/h4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);3-6,8,10-13,20,25H,7,9,14-17H2,1-2H3,(H,35,40)(H,36,37);6-9,11,13-16,21,26H,4-5,10,12,17-18H2,1-3H3,(H,34,39)(H,35,36)/t24-,29+;2*23-,28+;20-,25+;21-,26+/m11111/s1
InChIKeyNEXXWHIGPPMAFB-RDUSRNDSSA-N
XLogP19.78
TPSA555.50 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002892.31
LogP ≤ 519.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 159761403) is N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCCO1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)CC[C@H]1C(=O)N1CC(C)(F)C1.
What is the InChIKey of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is NEXXWHIGPPMAFB-RDUSRNDSSA-N. The full InChI is InChI=1S/C33H38FN7O3.C32H35FN6O4.C32H35FN6O3.C30H31F2N7O3.C30H34FN7O3/c1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)39-14-3-4-15-43-39)38(18-23)19-25-26(33)6-5-7-29(25)42-2;1-20-16-21(12-13-34-20)30-24-17-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)38-14-3-4-15-38)39(18-23)19-25-26(33)6-5-7-29(25)42-2;1-30(32)16-39(17-30)29(41)25-9-7-20(14-38(25)15-22-23(31)4-3-5-26(22)42-2)35-28(40)18-6-8-24-21(12-18)27(37-36-24)19-10-11-33-34-13-19;1-4-37(5-2)30(40)26-12-10-21(17-38(26)18-23-24(31)7-6-8-27(23)41-3)34-29(39)19-9-11-25-22(15-19)28(36-35-25)20-13-14-32-33-16-20/h4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);5-8,10,12-13,16-17,23,28H,3-4,9,11,14-15,18-19H2,1-2H3,(H,35,40)(H,36,37);3-6,8,10-13,20,25H,7,9,14-17H2,1-2H3,(H,35,40)(H,36,37);6-9,11,13-16,21,26H,4-5,10,12,17-18H2,1-3H3,(H,34,39)(H,35,36)/t24-,29+;2*23-,28+;20-,25+;21-,26+/m11111/s1.
What are the key properties of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 2892.31 g/mol, XLogP of 19.78, 37 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(oxazinane-2-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 159761403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).