N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide

C110H104F2N14O9 — CID 157356900

IUPACN-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCNCC1)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCNCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C29H29FN4O2.C29H30N4O2.C26H23FN2O3.C26H22N4O2/c30-22-9-10-27(34-15-13-31-14-16-34)21(18-22)19-28(35)26(17-20-5-2-1-3-6-20)33-29(36)24-7-4-8-25-23(24)11-12-32-25;34-28(20-22-9-4-5-12-27(22)33-17-15-30-16-18-33)26(19-21-7-2-1-3-8-21)32-29(35)24-10-6-11-25-23(24)13-14-31-25;1-32-25-11-10-19(27)15-18(25)16-24(30)23(14-17-6-3-2-4-7-17)29-26(31)21-8-5-9-22-20(21)12-13-28-22;31-25(15-18-8-4-11-23-21(18)16-28-30-23)24(14-17-6-2-1-3-7-17)29-26(32)20-9-5-10-22-19(20)12-13-27-22/h1-12,18,26,31-32H,13-17,19H2,(H,33,36);1-14,26,30-31H,15-20H2,(H,32,35);2-13,15,23,28H,14,16H2,1H3,(H,29,31);1-13,16,24,27H,14-15H2,(H,28,30)(H,29,32)
InChIKeyBIEQENUELKEZQS-UHFFFAOYSA-N
MW1804.13 g/mol
LogP16.27
Rot. Bonds31

About N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide

N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide (PubChem CID 157356900) has the molecular formula C110H104F2N14O9 and a molecular weight of 1804.13 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide
PubChem CID157356900
Molecular FormulaC110H104F2N14O9
Molecular Weight1804.13 g/mol
Exact Mass1802.81
IUPAC NameN-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCNCC1)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCNCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C29H29FN4O2.C29H30N4O2.C26H23FN2O3.C26H22N4O2/c30-22-9-10-27(34-15-13-31-14-16-34)21(18-22)19-28(35)26(17-20-5-2-1-3-6-20)33-29(36)24-7-4-8-25-23(24)11-12-32-25;34-28(20-22-9-4-5-12-27(22)33-17-15-30-16-18-33)26(19-21-7-2-1-3-8-21)32-29(35)24-10-6-11-25-23(24)13-14-31-25;1-32-25-11-10-19(27)15-18(25)16-24(30)23(14-17-6-3-2-4-7-17)29-26(31)21-8-5-9-22-20(21)12-13-28-22;31-25(15-18-8-4-11-23-21(18)16-28-30-23)24(14-17-6-2-1-3-7-17)29-26(32)20-9-5-10-22-19(20)12-13-27-22/h1-12,18,26,31-32H,13-17,19H2,(H,33,36);1-14,26,30-31H,15-20H2,(H,32,35);2-13,15,23,28H,14,16H2,1H3,(H,29,31);1-13,16,24,27H,14-15H2,(H,28,30)(H,29,32)
InChIKeyBIEQENUELKEZQS-UHFFFAOYSA-N
XLogP16.27
TPSA316.29 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.13
LogP ≤ 516.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Analyze N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(6S)-6-benzyl-1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600974
US12473304, Example 222
CID 156829574
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591360
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591380
N-[(3R,6S)-6-(4-acetylpiperazine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652297
N-[(3R,6S)-6-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652332
N-[(3R,6S)-6-[(2,4-dimethylphenyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652381
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[methyl(propyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652803
N-[(3R,6S)-6-(dibutylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652804
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652868
N-[(3R,6S)-6-(dipropylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652964
N-[(3R,6S)-6-(cyclopentylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70653017

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide (CID 157356900) is N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide is COc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCNCC1)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccc2[nH]ccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1N1CCNCC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide?
The InChIKey is BIEQENUELKEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2.C29H30N4O2.C26H23FN2O3.C26H22N4O2/c30-22-9-10-27(34-15-13-31-14-16-34)21(18-22)19-28(35)26(17-20-5-2-1-3-6-20)33-29(36)24-7-4-8-25-23(24)11-12-32-25;34-28(20-22-9-4-5-12-27(22)33-17-15-30-16-18-33)26(19-21-7-2-1-3-8-21)32-29(35)24-10-6-11-25-23(24)13-14-31-25;1-32-25-11-10-19(27)15-18(25)16-24(30)23(14-17-6-3-2-4-7-17)29-26(31)21-8-5-9-22-20(21)12-13-28-22;31-25(15-18-8-4-11-23-21(18)16-28-30-23)24(14-17-6-2-1-3-7-17)29-26(32)20-9-5-10-22-19(20)12-13-27-22/h1-12,18,26,31-32H,13-17,19H2,(H,33,36);1-14,26,30-31H,15-20H2,(H,32,35);2-13,15,23,28H,14,16H2,1H3,(H,29,31);1-13,16,24,27H,14-15H2,(H,28,30)(H,29,32).
What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide?
N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide has a molecular weight of 1804.13 g/mol, XLogP of 16.27, 31 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[3-oxo-1-phenyl-4-(2-piperazin-1-ylphenyl)butan-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 157356900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).