8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C28H31FN4O3S — CID 143716824

IUPAC8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(C)(C)F)cc3)cccn12
InChIInChI=1S/C28H31FN4O3S/c1-5-21(15-34)31-27(36)24-23(19-12-14-37-16-19)32-25-22(7-6-13-33(24)25)26(35)30-17(2)18-8-10-20(11-9-18)28(3,4)29/h6-14,16-17,21,34H,5,15H2,1-4H3,(H,30,35)(H,31,36)/t17?,21-/m0/s1
InChIKeyGWIVDGCDIWNMQM-LFABVHOISA-N
MW522.65 g/mol
LogP5.26
Rot. Bonds9

About 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143716824) has the molecular formula C28H31FN4O3S and a molecular weight of 522.65 g/mol. Its IUPAC name is 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143716824
Molecular FormulaC28H31FN4O3S
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(C)(C)F)cc3)cccn12
InChIInChI=1S/C28H31FN4O3S/c1-5-21(15-34)31-27(36)24-23(19-12-14-37-16-19)32-25-22(7-6-13-33(24)25)26(35)30-17(2)18-8-10-20(11-9-18)28(3,4)29/h6-14,16-17,21,34H,5,15H2,1-4H3,(H,30,35)(H,31,36)/t17?,21-/m0/s1
InChIKeyGWIVDGCDIWNMQM-LFABVHOISA-N
XLogP5.26
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143716824) is 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NC(C)c3ccc(C(C)(C)F)cc3)cccn12.
What is the InChIKey of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is GWIVDGCDIWNMQM-LFABVHOISA-N. The full InChI is InChI=1S/C28H31FN4O3S/c1-5-21(15-34)31-27(36)24-23(19-12-14-37-16-19)32-25-22(7-6-13-33(24)25)26(35)30-17(2)18-8-10-20(11-9-18)28(3,4)29/h6-14,16-17,21,34H,5,15H2,1-4H3,(H,30,35)(H,31,36)/t17?,21-/m0/s1.
What are the key properties of 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 522.65 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[1-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143716824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).