8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C30H29ClN6O3S — CID 59588698

IUPAC8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3csc(-c4cccc(Cl)c4)n3)cccn12
InChIInChI=1S/C30H29ClN6O3S/c1-18(2)13-21(16-38)34-29(40)26-25(24-10-3-4-11-32-24)36-27-23(9-6-12-37(26)27)28(39)33-15-22-17-41-30(35-22)19-7-5-8-20(31)14-19/h3-12,14,17-18,21,38H,13,15-16H2,1-2H3,(H,33,39)(H,34,40)/t21-/m0/s1
InChIKeyXQDZZFWKMHLGFH-NRFANRHFSA-N
MW589.12 g/mol
LogP5.24
Rot. Bonds10

About 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588698) has the molecular formula C30H29ClN6O3S and a molecular weight of 589.12 g/mol. Its IUPAC name is 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588698
Molecular FormulaC30H29ClN6O3S
Molecular Weight589.12 g/mol
Exact Mass588.17
IUPAC Name8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3csc(-c4cccc(Cl)c4)n3)cccn12
InChIInChI=1S/C30H29ClN6O3S/c1-18(2)13-21(16-38)34-29(40)26-25(24-10-3-4-11-32-24)36-27-23(9-6-12-37(26)27)28(39)33-15-22-17-41-30(35-22)19-7-5-8-20(31)14-19/h3-12,14,17-18,21,38H,13,15-16H2,1-2H3,(H,33,39)(H,34,40)/t21-/m0/s1
InChIKeyXQDZZFWKMHLGFH-NRFANRHFSA-N
XLogP5.24
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.12
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588698) is 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccn2)nc2c(C(=O)NCc3csc(-c4cccc(Cl)c4)n3)cccn12.
What is the InChIKey of 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is XQDZZFWKMHLGFH-NRFANRHFSA-N. The full InChI is InChI=1S/C30H29ClN6O3S/c1-18(2)13-21(16-38)34-29(40)26-25(24-10-3-4-11-32-24)36-27-23(9-6-12-37(26)27)28(39)33-15-22-17-41-30(35-22)19-7-5-8-20(31)14-19/h3-12,14,17-18,21,38H,13,15-16H2,1-2H3,(H,33,39)(H,34,40)/t21-/m0/s1.
What are the key properties of 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 589.12 g/mol, XLogP of 5.24, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).