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

C24H29ClN6O4S2 — CID 67056873

IUPACN-[(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
SMILESCC(C)N1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C24H29ClN6O4S2/c1-13(2)30-7-6-17-21(12-30)36-24(29-17)23(33)28-20-11-31(37(3,34)35)10-19(20)27-22(32)18-9-14-8-15(25)4-5-16(14)26-18/h4-5,8-9,13,19-20,26H,6-7,10-12H2,1-3H3,(H,27,32)(H,28,33)/t19-,20+/m0/s1
InChIKeyYITWMBVMHVONQN-VQTJNVASSA-N
MW565.12 g/mol
LogP2.22
Rot. Bonds6

About 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

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 (PubChem CID 67056873) has the molecular formula C24H29ClN6O4S2 and a molecular weight of 565.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID67056873
Molecular FormulaC24H29ClN6O4S2
Molecular Weight565.12 g/mol
Exact Mass564.14
IUPAC NameN-[(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
SMILESCC(C)N1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C24H29ClN6O4S2/c1-13(2)30-7-6-17-21(12-30)36-24(29-17)23(33)28-20-11-31(37(3,34)35)10-19(20)27-22(32)18-9-14-8-15(25)4-5-16(14)26-18/h4-5,8-9,13,19-20,26H,6-7,10-12H2,1-3H3,(H,27,32)(H,28,33)/t19-,20+/m0/s1
InChIKeyYITWMBVMHVONQN-VQTJNVASSA-N
XLogP2.22
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.12
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(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-[(1S,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68907648
2-[(3R,4R)-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]pyrrolidin-1-yl]sulfonylacetic acid
CID 59676836
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
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
N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]oxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677067
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.
What is the InChIKey of 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?
The InChIKey is YITWMBVMHVONQN-VQTJNVASSA-N. The full InChI is InChI=1S/C24H29ClN6O4S2/c1-13(2)30-7-6-17-21(12-30)36-24(29-17)23(33)28-20-11-31(37(3,34)35)10-19(20)27-22(32)18-9-14-8-15(25)4-5-16(14)26-18/h4-5,8-9,13,19-20,26H,6-7,10-12H2,1-3H3,(H,27,32)(H,28,33)/t19-,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 565.12 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67056873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).