2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate

C103H123BrN26O10 — CID 157283579

IUPAC2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate
SMILESCN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CN(C)C[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CNC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C34H42N8O2.C33H40N8O2.C26H31BrN6O4.C10H10N4O2/c1-39-12-14-42(15-13-39)19-24-4-8-26(9-5-24)27-10-6-25(7-11-27)23-44-32-22-40(2)21-31(32)38-34(43)30-16-28(17-36-33(30)35)29-18-37-41(3)20-29;1-39-11-13-41(14-12-39)20-23-3-7-25(8-4-23)26-9-5-24(6-10-26)22-43-31-19-35-18-30(31)38-33(42)29-15-27(16-36-32(29)34)28-17-37-40(2)21-28;1-26(2,3)37-25(35)33-13-21(22(14-33)36-15-16-5-7-19(27)8-6-16)31-24(34)20-9-17(10-29-23(20)28)18-11-30-32(4)12-18;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h4-11,16-18,20,31-32H,12-15,19,21-23H2,1-3H3,(H2,35,36)(H,38,43);3-10,15-17,21,30-31,35H,11-14,18-20,22H2,1-2H3,(H2,34,36)(H,38,42);5-12,21-22H,13-15H2,1-4H3,(H2,28,29)(H,31,34);2-5H,1H3,(H2,11,12)(H,15,16)/t31-,32-;30-,31-;21-,22-;/m000./s1
InChIKeyAZYPYTMDZMORSY-WEQXXXPCSA-N
MW1965.19 g/mol
LogP10.40
Rot. Bonds26

About 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate

2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate (PubChem CID 157283579) has the molecular formula C103H123BrN26O10 and a molecular weight of 1965.19 g/mol. Its IUPAC name is 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate
PubChem CID157283579
Molecular FormulaC103H123BrN26O10
Molecular Weight1965.19 g/mol
Exact Mass1962.91
IUPAC Name2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate
SMILESCN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CN(C)C[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CNC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1
InChIInChI=1S/C34H42N8O2.C33H40N8O2.C26H31BrN6O4.C10H10N4O2/c1-39-12-14-42(15-13-39)19-24-4-8-26(9-5-24)27-10-6-25(7-11-27)23-44-32-22-40(2)21-31(32)38-34(43)30-16-28(17-36-33(30)35)29-18-37-41(3)20-29;1-39-11-13-41(14-12-39)20-23-3-7-25(8-4-23)26-9-5-24(6-10-26)22-43-31-19-35-18-30(31)38-33(42)29-15-27(16-36-32(29)34)28-17-37-40(2)21-28;1-26(2,3)37-25(35)33-13-21(22(14-33)36-15-16-5-7-19(27)8-6-16)31-24(34)20-9-17(10-29-23(20)28)18-11-30-32(4)12-18;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h4-11,16-18,20,31-32H,12-15,19,21-23H2,1-3H3,(H2,35,36)(H,38,43);3-10,15-17,21,30-31,35H,11-14,18-20,22H2,1-2H3,(H2,34,36)(H,38,42);5-12,21-22H,13-15H2,1-4H3,(H2,28,29)(H,31,34);2-5H,1H3,(H2,11,12)(H,15,16)/t31-,32-;30-,31-;21-,22-;/m000./s1
InChIKeyAZYPYTMDZMORSY-WEQXXXPCSA-N
XLogP10.40
TPSA436.98 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.19
LogP ≤ 510.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone
CID 159160054
tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline
CID 157151868
N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 157242114
2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol
CID 157248937
sodium;2-amino-N-[(1S,2S)-2-[[4-(3-aminophenyl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane;methanol;methyl 2-amino-5-bromopyridine-3-carboxylate;hydroxide
CID 157395064
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyridine-3-carboxamide;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 157624476
2-amino-N-[(3R)-1-(4-bromobenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-(4-phenylbenzoyl)pyrrolidin-3-yl]pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyridine-3-carboxamide;4-bromobenzoic acid;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;phenylboronic acid
CID 157665207
sodium;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane;methanol;methyl 2-amino-5-bromopyridine-3-carboxylate;methyl 2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylate;hydroxide
CID 157852281
2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane
CID 158282287
2-amino-N-[(3R)-1-[6-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[6-(piperidin-4-ylamino)naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyridine-3-carboxamide;2-bromoethanol;6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]naphthalene-2-carboxylic acid
CID 158349039
2-amino-5-bromo-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 158672010
2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;methane
CID 159143745

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate?
The IUPAC name of 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate (CID 157283579) is 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate is CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CN(C)C[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(CO[C@H]4CNC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate?
The InChIKey is AZYPYTMDZMORSY-WEQXXXPCSA-N. The full InChI is InChI=1S/C34H42N8O2.C33H40N8O2.C26H31BrN6O4.C10H10N4O2/c1-39-12-14-42(15-13-39)19-24-4-8-26(9-5-24)27-10-6-25(7-11-27)23-44-32-22-40(2)21-31(32)38-34(43)30-16-28(17-36-33(30)35)29-18-37-41(3)20-29;1-39-11-13-41(14-12-39)20-23-3-7-25(8-4-23)26-9-5-24(6-10-26)22-43-31-19-35-18-30(31)38-33(42)29-15-27(16-36-32(29)34)28-17-37-40(2)21-28;1-26(2,3)37-25(35)33-13-21(22(14-33)36-15-16-5-7-19(27)8-6-16)31-24(34)20-9-17(10-29-23(20)28)18-11-30-32(4)12-18;1-14-5-7(4-13-14)6-2-8(10(15)16)9(11)12-3-6/h4-11,16-18,20,31-32H,12-15,19,21-23H2,1-3H3,(H2,35,36)(H,38,43);3-10,15-17,21,30-31,35H,11-14,18-20,22H2,1-2H3,(H2,34,36)(H,38,42);5-12,21-22H,13-15H2,1-4H3,(H2,28,29)(H,31,34);2-5H,1H3,(H2,11,12)(H,15,16)/t31-,32-;30-,31-;21-,22-;/m000./s1.
What are the key properties of 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate?
2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate has a molecular weight of 1965.19 g/mol, XLogP of 10.40, 26 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 157283579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).