N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C33H38ClN5O4S — CID 68905367

IUPACN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(C)N1CCc2nc(C(=O)NC3CC(CO)(COCc4ccccc4)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C33H38ClN5O4S/c1-20(2)39-11-10-25-29(16-39)44-32(38-25)31(42)37-28-15-33(18-40,19-43-17-21-6-4-3-5-7-21)14-27(28)36-30(41)26-13-22-12-23(34)8-9-24(22)35-26/h3-9,12-13,20,27-28,35,40H,10-11,14-19H2,1-2H3,(H,36,41)(H,37,42)
InChIKeyFSMYEPOOZLKVCJ-UHFFFAOYSA-N
MW636.22 g/mol
LogP4.93
Rot. Bonds10

About N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 68905367) has the molecular formula C33H38ClN5O4S and a molecular weight of 636.22 g/mol. Its IUPAC name is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID68905367
Molecular FormulaC33H38ClN5O4S
Molecular Weight636.22 g/mol
Exact Mass635.23
IUPAC NameN-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCC(C)N1CCc2nc(C(=O)NC3CC(CO)(COCc4ccccc4)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C33H38ClN5O4S/c1-20(2)39-11-10-25-29(16-39)44-32(38-25)31(42)37-28-15-33(18-40,19-43-17-21-6-4-3-5-7-21)14-27(28)36-30(41)26-13-22-12-23(34)8-9-24(22)35-26/h3-9,12-13,20,27-28,35,40H,10-11,14-19H2,1-2H3,(H,36,41)(H,37,42)
InChIKeyFSMYEPOOZLKVCJ-UHFFFAOYSA-N
XLogP4.93
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.22
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide 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

N-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 70376082
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68911331
N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 70896231
N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methylsulfonylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 67056873
N-[(1S,2R,4R,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4,5-dihydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786617
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 66787094
N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 66785735
N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677026
3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 68909554
N-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59284703
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
3-[(3R,4R)-3-[(5-methyl-1H-indole-2-carbonyl)amino]-4-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pyrrolidin-1-yl]propanoic acid
CID 142198104

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 68905367) is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(C)N1CCc2nc(C(=O)NC3CC(CO)(COCc4ccccc4)CC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is FSMYEPOOZLKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5O4S/c1-20(2)39-11-10-25-29(16-39)44-32(38-25)31(42)37-28-15-33(18-40,19-43-17-21-6-4-3-5-7-21)14-27(28)36-30(41)26-13-22-12-23(34)8-9-24(22)35-26/h3-9,12-13,20,27-28,35,40H,10-11,14-19H2,1-2H3,(H,36,41)(H,37,42).
What are the key properties of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 636.22 g/mol, XLogP of 4.93, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(hydroxymethyl)-4-(phenylmethoxymethyl)cyclopentyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 68905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).