N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide

C25H22ClN5O2S — CID 25182390

IUPACN-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2n[nH]c3ccccc23)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C25H22ClN5O2S/c1-13-28-22(23(34-13)14-5-4-6-16(26)9-14)25(33)31-12-15-10-18(15)20(31)11-27-24(32)21-17-7-2-3-8-19(17)29-30-21/h2-9,15,18,20H,10-12H2,1H3,(H,27,32)(H,29,30)/t15-,18-,20+/m0/s1
InChIKeyOOJWZJLCQFQQTM-ZAAXVRCTSA-N
MW492.00 g/mol
LogP4.54
Rot. Bonds5

About N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide

N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 25182390) has the molecular formula C25H22ClN5O2S and a molecular weight of 492.00 g/mol. Its IUPAC name is N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID25182390
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.00 g/mol
Exact Mass491.12
IUPAC NameN-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2n[nH]c3ccccc23)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C25H22ClN5O2S/c1-13-28-22(23(34-13)14-5-4-6-16(26)9-14)25(33)31-12-15-10-18(15)20(31)11-27-24(32)21-17-7-2-3-8-19(17)29-30-21/h2-9,15,18,20H,10-12H2,1H3,(H,27,32)(H,29,30)/t15-,18-,20+/m0/s1
InChIKeyOOJWZJLCQFQQTM-ZAAXVRCTSA-N
XLogP4.54
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-((1R,2S,5S)-2-(5-Chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 9808346
N-((1R,2S)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752832
cis-1,2-Diaminocyclohexane derivative, 8n
CID 16660962
cis-1,2-Diaminocyclohexane derivative, 5f
CID 16660966
N-((1R,2R)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752833
cis-1,2-Diaminocyclohexane derivative, 8h
CID 44520913
cis-1,2-Diaminocyclohexane derivative, 8j
CID 44520915
cis-1,2-Diaminocyclohexane derivative, 8l
CID 44520917
cis-1,2-Diaminocyclohexane derivative, 48
CID 44520930
N-(2-{[(5-Chloro-1h-Indol-2-Yl)carbonyl]amino}phenyl)-5-Methyl-4,5,6,7-Tetrahydro[1,3]thiazolo[5,4-C]pyridine-2-Carboxamide
CID 54581294
cis-1,2-Diaminocyclohexane derivative, 8i
CID 44520914
N-[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(ethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 9984838

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide (CID 25182390) is N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide is Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2n[nH]c3ccccc23)c(-c2cccc(Cl)c2)s1.
What is the InChIKey of N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is OOJWZJLCQFQQTM-ZAAXVRCTSA-N. The full InChI is InChI=1S/C25H22ClN5O2S/c1-13-28-22(23(34-13)14-5-4-6-16(26)9-14)25(33)31-12-15-10-18(15)20(31)11-27-24(32)21-17-7-2-3-8-19(17)29-30-21/h2-9,15,18,20H,10-12H2,1H3,(H,27,32)(H,29,30)/t15-,18-,20+/m0/s1.
What are the key properties of N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide?
N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 492.00 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 25182390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).