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

C99H121BrN24O11 — CID 158349039

IUPAC2-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
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3cc(C(=O)O)ccc3c2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCN(CCO)CC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCNCC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCNC3)c2)cn1.OCCBr
InChIInChI=1S/C32H38N8O3.C30H34N8O2.C21H26N2O4.C14H18N6O.C2H5BrO/c1-38-19-25(18-35-38)24-16-29(30(33)34-17-24)31(42)37-28-8-11-40(20-28)32(43)23-3-2-22-15-27(5-4-21(22)14-23)36-26-6-9-39(10-7-26)12-13-41;1-37-17-23(16-34-37)22-14-27(28(31)33-15-22)29(39)36-26-8-11-38(18-26)30(40)21-3-2-20-13-25(5-4-19(20)12-21)35-24-6-9-32-10-7-24;1-21(2,3)27-20(26)23-10-8-17(9-11-23)22-18-7-6-14-12-16(19(24)25)5-4-15(14)13-18;1-20-8-10(6-18-20)9-4-12(13(15)17-5-9)14(21)19-11-2-3-16-7-11;3-1-2-4/h2-5,14-19,26,28,36,41H,6-13,20H2,1H3,(H2,33,34)(H,37,42);2-5,12-17,24,26,32,35H,6-11,18H2,1H3,(H2,31,33)(H,36,39);4-7,12-13,17,22H,8-11H2,1-3H3,(H,24,25);4-6,8,11,16H,2-3,7H2,1H3,(H2,15,17)(H,19,21);4H,1-2H2/t28-;26-;;11-;/m11.1./s1
InChIKeyGSBYQDQCXASYMG-ARAZBHMTSA-N
MW1903.12 g/mol
LogP10.64
Rot. Bonds21

About 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

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 (PubChem CID 158349039) has the molecular formula C99H121BrN24O11 and a molecular weight of 1903.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158349039
Molecular FormulaC99H121BrN24O11
Molecular Weight1903.12 g/mol
Exact Mass1900.88
IUPAC Name2-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
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3cc(C(=O)O)ccc3c2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCN(CCO)CC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCNCC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCNC3)c2)cn1.OCCBr
InChIInChI=1S/C32H38N8O3.C30H34N8O2.C21H26N2O4.C14H18N6O.C2H5BrO/c1-38-19-25(18-35-38)24-16-29(30(33)34-17-24)31(42)37-28-8-11-40(20-28)32(43)23-3-2-22-15-27(5-4-21(22)14-23)36-26-6-9-39(10-7-26)12-13-41;1-37-17-23(16-34-37)22-14-27(28(31)33-15-22)29(39)36-26-8-11-38(18-26)30(40)21-3-2-20-13-25(5-4-19(20)12-21)35-24-6-9-32-10-7-24;1-21(2,3)27-20(26)23-10-8-17(9-11-23)22-18-7-6-14-12-16(19(24)25)5-4-15(14)13-18;1-20-8-10(6-18-20)9-4-12(13(15)17-5-9)14(21)19-11-2-3-16-7-11;3-1-2-4/h2-5,14-19,26,28,36,41H,6-13,20H2,1H3,(H2,33,34)(H,37,42);2-5,12-17,24,26,32,35H,6-11,18H2,1H3,(H2,31,33)(H,36,39);4-7,12-13,17,22H,8-11H2,1-3H3,(H,24,25);4-6,8,11,16H,2-3,7H2,1H3,(H2,15,17)(H,19,21);4H,1-2H2/t28-;26-;;11-;/m11.1./s1
InChIKeyGSBYQDQCXASYMG-ARAZBHMTSA-N
XLogP10.64
TPSA468.80 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001903.12
LogP ≤ 510.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxamide;1-bromo-2-methoxyethane;ethyl 1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol;1-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]pyrazole-4-carboxylic acid;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
CID 159354402
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 159455980
3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]-N-methylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]-N-methylpyridine-2-carboxamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(morpholine-4-carbonyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160778445
CID 161414911
CID 161414911
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;methane
CID 161974779
2-amino-5-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[(3R)-1-[6-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide;2-amino-5-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[(3R)-1-[6-(piperidin-4-ylamino)naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide;2-amino-5-(1-amino-3-methyliminoprop-1-en-2-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 164080127
9-bromo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one;4-bromoisoquinolin-1-amine;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;cubane-1-carboxylic acid;3-[3-oxo-9-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;hydrochloride
CID 167554475

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(Nc2ccc3cc(C(=O)O)ccc3c2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCN(CCO)CC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc5cc(NC6CCNCC6)ccc5c4)C3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCNC3)c2)cn1.OCCBr.
What is the InChIKey of 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?
The InChIKey is GSBYQDQCXASYMG-ARAZBHMTSA-N. The full InChI is InChI=1S/C32H38N8O3.C30H34N8O2.C21H26N2O4.C14H18N6O.C2H5BrO/c1-38-19-25(18-35-38)24-16-29(30(33)34-17-24)31(42)37-28-8-11-40(20-28)32(43)23-3-2-22-15-27(5-4-21(22)14-23)36-26-6-9-39(10-7-26)12-13-41;1-37-17-23(16-34-37)22-14-27(28(31)33-15-22)29(39)36-26-8-11-38(18-26)30(40)21-3-2-20-13-25(5-4-19(20)12-21)35-24-6-9-32-10-7-24;1-21(2,3)27-20(26)23-10-8-17(9-11-23)22-18-7-6-14-12-16(19(24)25)5-4-15(14)13-18;1-20-8-10(6-18-20)9-4-12(13(15)17-5-9)14(21)19-11-2-3-16-7-11;3-1-2-4/h2-5,14-19,26,28,36,41H,6-13,20H2,1H3,(H2,33,34)(H,37,42);2-5,12-17,24,26,32,35H,6-11,18H2,1H3,(H2,31,33)(H,36,39);4-7,12-13,17,22H,8-11H2,1-3H3,(H,24,25);4-6,8,11,16H,2-3,7H2,1H3,(H2,15,17)(H,19,21);4H,1-2H2/t28-;26-;;11-;/m11.1./s1.
What are the key properties of 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?
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 has a molecular weight of 1903.12 g/mol, XLogP of 10.64, 21 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158349039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).