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

C24H22F2N4O3S — CID 59588596

IUPAC8-N-[(3,4-difluorophenyl)methyl]-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)NCc3ccc(F)c(F)c3)cccn12
InChIInChI=1S/C24H22F2N4O3S/c1-2-16(12-31)28-24(33)21-20(15-7-9-34-13-15)29-22-17(4-3-8-30(21)22)23(32)27-11-14-5-6-18(25)19(26)10-14/h3-10,13,16,31H,2,11-12H2,1H3,(H,27,32)(H,28,33)/t16-/m0/s1
InChIKeyBPHHTCJSHGSVJU-INIZCTEOSA-N
MW484.53 g/mol
LogP3.77
Rot. Bonds8

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

8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588596) has the molecular formula C24H22F2N4O3S and a molecular weight of 484.53 g/mol. Its IUPAC name is 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588596
Molecular FormulaC24H22F2N4O3S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name8-N-[(3,4-difluorophenyl)methyl]-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)NCc3ccc(F)c(F)c3)cccn12
InChIInChI=1S/C24H22F2N4O3S/c1-2-16(12-31)28-24(33)21-20(15-7-9-34-13-15)29-22-17(4-3-8-30(21)22)23(32)27-11-14-5-6-18(25)19(26)10-14/h3-10,13,16,31H,2,11-12H2,1H3,(H,27,32)(H,28,33)/t16-/m0/s1
InChIKeyBPHHTCJSHGSVJU-INIZCTEOSA-N
XLogP3.77
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588596) is 8-N-[(3,4-difluorophenyl)methyl]-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-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(3,4-difluorophenyl)methyl]-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)NCc3ccc(F)c(F)c3)cccn12.
What is the InChIKey of 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is BPHHTCJSHGSVJU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22F2N4O3S/c1-2-16(12-31)28-24(33)21-20(15-7-9-34-13-15)29-22-17(4-3-8-30(21)22)23(32)27-11-14-5-6-18(25)19(26)10-14/h3-10,13,16,31H,2,11-12H2,1H3,(H,27,32)(H,28,33)/t16-/m0/s1.
What are the key properties of 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 484.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3,4-difluorophenyl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).