3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid

C27H25FN6O4 — CID 70295582

IUPAC3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C27H25FN6O4/c28-17-13-21(24(29-14-17)30-20-5-3-4-16(12-20)27(37)38)25(35)31-18-7-9-19(10-8-18)32-26(36)22-15-34-11-2-1-6-23(34)33-22/h1-6,11-15,18-19H,7-10H2,(H,29,30)(H,31,35)(H,32,36)(H,37,38)
InChIKeyFZVULRXTVPGHHZ-UHFFFAOYSA-N
MW516.53 g/mol
LogP3.78
Rot. Bonds7

About 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid

3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid (PubChem CID 70295582) has the molecular formula C27H25FN6O4 and a molecular weight of 516.53 g/mol. Its IUPAC name is 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid
PubChem CID70295582
Molecular FormulaC27H25FN6O4
Molecular Weight516.53 g/mol
Exact Mass516.19
IUPAC Name3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C27H25FN6O4/c28-17-13-21(24(29-14-17)30-20-5-3-4-16(12-20)27(37)38)25(35)31-18-7-9-19(10-8-18)32-26(36)22-15-34-11-2-1-6-23(34)33-22/h1-6,11-15,18-19H,7-10H2,(H,29,30)(H,31,35)(H,32,36)(H,37,38)
InChIKeyFZVULRXTVPGHHZ-UHFFFAOYSA-N
XLogP3.78
TPSA137.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid with MolForge

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Related Compounds

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CID 23646643
CID 23646643
CID 71460081
CID 71460081
CID 9360968
CID 9360968
CID 89523011
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CID 89523537
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CID 90683059
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CID 71695987
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CID 71695988

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid?
The IUPAC name of 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid (CID 70295582) is 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid?
The canonical SMILES for 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid is O=C(O)c1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(NC(=O)c3cn4ccccc4n3)CC2)c1.
What is the InChIKey of 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid?
The InChIKey is FZVULRXTVPGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O4/c28-17-13-21(24(29-14-17)30-20-5-3-4-16(12-20)27(37)38)25(35)31-18-7-9-19(10-8-18)32-26(36)22-15-34-11-2-1-6-23(34)33-22/h1-6,11-15,18-19H,7-10H2,(H,29,30)(H,31,35)(H,32,36)(H,37,38).
What are the key properties of 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid?
3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid has a molecular weight of 516.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 70295582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).