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

C28H27ClN8O3S — CID 154608006

IUPAC2-[(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
SMILESCNC(=O)[C@H](Cc1c[nH]c2ccccc12)c1sc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)nc1C(N)=O
InChIInChI=1S/C28H27ClN8O3S/c1-32-26(39)18(8-14-10-33-19-5-3-2-4-17(14)19)24-23(25(31)38)35-27(41-24)21-9-16(30)12-37(21)28(40)20-13-36-11-15(29)6-7-22(36)34-20/h2-7,10-11,13,16,18,21,33H,8-9,12,30H2,1H3,(H2,31,38)(H,32,39)/t16-,18-,21+/m1/s1
InChIKeyVJGGEKIYIVFOAJ-BLIXFSHQSA-N
MW591.10 g/mol
LogP3.01
Rot. Bonds7

About 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

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 (PubChem CID 154608006) 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]-5-[(2S)-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]-5-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID154608006
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]-5-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)[C@H](Cc1c[nH]c2ccccc12)c1sc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)nc1C(N)=O
InChIInChI=1S/C28H27ClN8O3S/c1-32-26(39)18(8-14-10-33-19-5-3-2-4-17(14)19)24-23(25(31)38)35-27(41-24)21-9-16(30)12-37(21)28(40)20-13-36-11-15(29)6-7-22(36)34-20/h2-7,10-11,13,16,18,21,33H,8-9,12,30H2,1H3,(H2,31,38)(H,32,39)/t16-,18-,21+/m1/s1
InChIKeyVJGGEKIYIVFOAJ-BLIXFSHQSA-N
XLogP3.01
TPSA164.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.10
LogP ≤ 53.01
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]-5-[(2S)-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]-N-[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 137465096
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 110671933
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
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 69042546
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 114350949
2-azido-3-(1H-indol-3-yl)-N-methylpropanamide
CID 166796115
5-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)-5-methylhexan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 126536833
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530
(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135
2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105

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]-5-[(2S)-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]-5-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (CID 154608006) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)[C@H](Cc1c[nH]c2ccccc12)c1sc([C@@H]2C[C@@H](N)CN2C(=O)c2cn3cc(Cl)ccc3n2)nc1C(N)=O.
What is the InChIKey of 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?
The InChIKey is VJGGEKIYIVFOAJ-BLIXFSHQSA-N. The full InChI is InChI=1S/C28H27ClN8O3S/c1-32-26(39)18(8-14-10-33-19-5-3-2-4-17(14)19)24-23(25(31)38)35-27(41-24)21-9-16(30)12-37(21)28(40)20-13-36-11-15(29)6-7-22(36)34-20/h2-7,10-11,13,16,18,21,33H,8-9,12,30H2,1H3,(H2,31,38)(H,32,39)/t16-,18-,21+/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]-5-[(2S)-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]-5-[(2S)-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 3.01, 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]-5-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154608006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).