8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C30H36N6O3S — CID 59588289

IUPAC8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(NC4CCCC4)nc3)cccn12
InChIInChI=1S/C30H36N6O3S/c1-19(2)14-23(17-37)34-30(39)27-26(21-11-13-40-18-21)35-28-24(8-5-12-36(27)28)29(38)32-16-20-9-10-25(31-15-20)33-22-6-3-4-7-22/h5,8-13,15,18-19,22-23,37H,3-4,6-7,14,16-17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39)/t23-/m0/s1
InChIKeyUHSXKQYWFAHDFI-QHCPKHFHSA-N
MW560.72 g/mol
LogP4.88
Rot. Bonds11

About 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588289) has the molecular formula C30H36N6O3S and a molecular weight of 560.72 g/mol. Its IUPAC name is 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588289
Molecular FormulaC30H36N6O3S
Molecular Weight560.72 g/mol
Exact Mass560.26
IUPAC Name8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(NC4CCCC4)nc3)cccn12
InChIInChI=1S/C30H36N6O3S/c1-19(2)14-23(17-37)34-30(39)27-26(21-11-13-40-18-21)35-28-24(8-5-12-36(27)28)29(38)32-16-20-9-10-25(31-15-20)33-22-6-3-4-7-22/h5,8-13,15,18-19,22-23,37H,3-4,6-7,14,16-17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39)/t23-/m0/s1
InChIKeyUHSXKQYWFAHDFI-QHCPKHFHSA-N
XLogP4.88
TPSA120.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.72
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-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-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588289) is 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(NC4CCCC4)nc3)cccn12.
What is the InChIKey of 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is UHSXKQYWFAHDFI-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H36N6O3S/c1-19(2)14-23(17-37)34-30(39)27-26(21-11-13-40-18-21)35-28-24(8-5-12-36(27)28)29(38)32-16-20-9-10-25(31-15-20)33-22-6-3-4-7-22/h5,8-13,15,18-19,22-23,37H,3-4,6-7,14,16-17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39)/t23-/m0/s1.
What are the key properties of 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 560.72 g/mol, XLogP of 4.88, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[[6-(cyclopentylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).