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

C26H27F2N5O3S — CID 70296137

IUPAC8-N-[[6-(difluoromethyl)-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(C(F)F)nc3)cccn12
InChIInChI=1S/C26H27F2N5O3S/c1-15(2)10-18(13-34)31-26(36)22-21(17-7-9-37-14-17)32-24-19(4-3-8-33(22)24)25(35)30-12-16-5-6-20(23(27)28)29-11-16/h3-9,11,14-15,18,23,34H,10,12-13H2,1-2H3,(H,30,35)(H,31,36)/t18-/m0/s1
InChIKeyDKEZGHQXGOCMHM-SFHVURJKSA-N
MW527.60 g/mol
LogP4.46
Rot. Bonds10

About 8-N-[[6-(difluoromethyl)-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-(difluoromethyl)-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 70296137) has the molecular formula C26H27F2N5O3S and a molecular weight of 527.60 g/mol. Its IUPAC name is 8-N-[[6-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID70296137
Molecular FormulaC26H27F2N5O3S
Molecular Weight527.60 g/mol
Exact Mass527.18
IUPAC Name8-N-[[6-(difluoromethyl)-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(C(F)F)nc3)cccn12
InChIInChI=1S/C26H27F2N5O3S/c1-15(2)10-18(13-34)31-26(36)22-21(17-7-9-37-14-17)32-24-19(4-3-8-33(22)24)25(35)30-12-16-5-6-20(23(27)28)29-11-16/h3-9,11,14-15,18,23,34H,10,12-13H2,1-2H3,(H,30,35)(H,31,36)/t18-/m0/s1
InChIKeyDKEZGHQXGOCMHM-SFHVURJKSA-N
XLogP4.46
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-N-[[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 70296137) is 8-N-[[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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(C(F)F)nc3)cccn12.
What is the InChIKey of 8-N-[[6-(difluoromethyl)-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 DKEZGHQXGOCMHM-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27F2N5O3S/c1-15(2)10-18(13-34)31-26(36)22-21(17-7-9-37-14-17)32-24-19(4-3-8-33(22)24)25(35)30-12-16-5-6-20(23(27)28)29-11-16/h3-9,11,14-15,18,23,34H,10,12-13H2,1-2H3,(H,30,35)(H,31,36)/t18-/m0/s1.
What are the key properties of 8-N-[[6-(difluoromethyl)-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-(difluoromethyl)-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 527.60 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[[6-(difluoromethyl)-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 70296137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).