6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C24H17ClFN7O2 — CID 164912481

IUPAC6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3F)cn2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C24H17ClFN7O2/c1-13-3-2-4-17(29-13)23-30-19(24(35)31-18-9-14(25)5-7-16(18)26)12-32(23)15-6-8-21-28-10-20(22(27)34)33(21)11-15/h2-12H,1H3,(H2,27,34)(H,31,35)
InChIKeyDXFDNNDFQKCESI-UHFFFAOYSA-N
MW489.90 g/mol
LogP4.03
Rot. Bonds5

About 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164912481) has the molecular formula C24H17ClFN7O2 and a molecular weight of 489.90 g/mol. Its IUPAC name is 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164912481
Molecular FormulaC24H17ClFN7O2
Molecular Weight489.90 g/mol
Exact Mass489.11
IUPAC Name6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3F)cn2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C24H17ClFN7O2/c1-13-3-2-4-17(29-13)23-30-19(24(35)31-18-9-14(25)5-7-16(18)26)12-32(23)15-6-8-21-28-10-20(22(27)34)33(21)11-15/h2-12H,1H3,(H2,27,34)(H,31,35)
InChIKeyDXFDNNDFQKCESI-UHFFFAOYSA-N
XLogP4.03
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 164912481) is 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3F)cn2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DXFDNNDFQKCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN7O2/c1-13-3-2-4-17(29-13)23-30-19(24(35)31-18-9-14(25)5-7-16(18)26)12-32(23)15-6-8-21-28-10-20(22(27)34)33(21)11-15/h2-12H,1H3,(H2,27,34)(H,31,35).
What are the key properties of 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.90 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164912481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).