N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C22H23ClN6O3S — CID 59676906

IUPACN-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C)C(=O)[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C22H23ClN6O3S/c1-28-6-5-14-17(10-28)33-21(26-14)20(31)25-16-9-29(2)22(32)18(16)27-19(30)15-8-11-7-12(23)3-4-13(11)24-15/h3-4,7-8,16,18,24H,5-6,9-10H2,1-2H3,(H,25,31)(H,27,30)/t16-,18+/m1/s1
InChIKeyZLKHVKQUNAYWLJ-AEFFLSMTSA-N
MW486.99 g/mol
LogP1.63
Rot. Bonds4

About N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 59676906) has the molecular formula C22H23ClN6O3S and a molecular weight of 486.99 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID59676906
Molecular FormulaC22H23ClN6O3S
Molecular Weight486.99 g/mol
Exact Mass486.12
IUPAC NameN-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CN(C)C(=O)[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
InChIInChI=1S/C22H23ClN6O3S/c1-28-6-5-14-17(10-28)33-21(26-14)20(31)25-16-9-29(2)22(32)18(16)27-19(30)15-8-11-7-12(23)3-4-13(11)24-15/h3-4,7-8,16,18,24H,5-6,9-10H2,1-2H3,(H,25,31)(H,27,30)/t16-,18+/m1/s1
InChIKeyZLKHVKQUNAYWLJ-AEFFLSMTSA-N
XLogP1.63
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.99
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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-[(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-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 59677079
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
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-[(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-[(1R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylcarbamoyl)cyclopentyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 70376085
N-[(5R,6S)-6-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822225
(1S,3S,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid;hydrochloride
CID 68909325
[(1S)-2-acetyloxy-5-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl] acetate
CID 70376079

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 59676906) is N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3CN(C)C(=O)[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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is ZLKHVKQUNAYWLJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H23ClN6O3S/c1-28-6-5-14-17(10-28)33-21(26-14)20(31)25-16-9-29(2)22(32)18(16)27-19(30)15-8-11-7-12(23)3-4-13(11)24-15/h3-4,7-8,16,18,24H,5-6,9-10H2,1-2H3,(H,25,31)(H,27,30)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-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-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 486.99 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-methyl-5-oxopyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 59676906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).