2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide

C28H27ClN8O3S — CID 137465096

IUPAC2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C28H27ClN8O3S/c1-31-25(38)20(8-15-10-32-19-5-3-2-4-18(15)19)34-26(39)22-14-41-27(35-22)23-9-17(30)12-37(23)28(40)21-13-36-11-16(29)6-7-24(36)33-21/h2-7,10-11,13-14,17,20,23,32H,8-9,12,30H2,1H3,(H,31,38)(H,34,39)/t17-,20?,23+/m1/s1
InChIKeyIAAFGUQPPVMZNX-MOOZSPDLSA-N
MW591.10 g/mol
LogP2.93
Rot. Bonds7

About 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 137465096) has the molecular formula C28H27ClN8O3S and a molecular weight of 591.10 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID137465096
Molecular FormulaC28H27ClN8O3S
Molecular Weight591.10 g/mol
Exact Mass590.16
IUPAC Name2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C28H27ClN8O3S/c1-31-25(38)20(8-15-10-32-19-5-3-2-4-18(15)19)34-26(39)22-14-41-27(35-22)23-9-17(30)12-37(23)28(40)21-13-36-11-16(29)6-7-24(36)33-21/h2-7,10-11,13-14,17,20,23,32H,8-9,12,30H2,1H3,(H,31,38)(H,34,39)/t17-,20?,23+/m1/s1
InChIKeyIAAFGUQPPVMZNX-MOOZSPDLSA-N
XLogP2.93
TPSA150.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.10
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-5-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 154608006
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[6-(diaminomethylideneamino)-1-(dimethylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide
CID 137465102
2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(2S)-6-(diaminomethylideneamino)-1-(methylamino)-1-oxohexan-2-yl]-1,3-thiazole-4-carboxamide
CID 137473003
ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3810868
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 4557310
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 102051767
3-chloro-4-[(3,4-difluorophenyl)methoxy]-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 166398241
trans-(1R,2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 18661254
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 110671933
N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-methyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
CID 166398248

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (CID 137465096) is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1csc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IAAFGUQPPVMZNX-MOOZSPDLSA-N. The full InChI is InChI=1S/C28H27ClN8O3S/c1-31-25(38)20(8-15-10-32-19-5-3-2-4-18(15)19)34-26(39)22-14-41-27(35-22)23-9-17(30)12-37(23)28(40)21-13-36-11-16(29)6-7-24(36)33-21/h2-7,10-11,13-14,17,20,23,32H,8-9,12,30H2,1H3,(H,31,38)(H,34,39)/t17-,20?,23+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 591.10 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137465096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).