1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide

C19H20ClFN6O — CID 139356979

IUPAC1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C(N)=O)C(C)N(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C19H20ClFN6O/c1-10-5-12(18(22)28)11(2)26(8-10)16-3-4-23-19(25-16)15-7-24-17-6-14(21)13(20)9-27(15)17/h3-4,6-7,9-12H,5,8H2,1-2H3,(H2,22,28)
InChIKeyNLTYFMHIKIXUCH-UHFFFAOYSA-N
MW402.86 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide

1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide (PubChem CID 139356979) has the molecular formula C19H20ClFN6O and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
PubChem CID139356979
Molecular FormulaC19H20ClFN6O
Molecular Weight402.86 g/mol
Exact Mass402.14
IUPAC Name1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C(N)=O)C(C)N(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C19H20ClFN6O/c1-10-5-12(18(22)28)11(2)26(8-10)16-3-4-23-19(25-16)15-7-24-17-6-14(21)13(20)9-27(15)17/h3-4,6-7,9-12H,5,8H2,1-2H3,(H2,22,28)
InChIKeyNLTYFMHIKIXUCH-UHFFFAOYSA-N
XLogP2.92
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide (CID 139356979) is 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide is CC1CC(C(N)=O)C(C)N(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.
What is the InChIKey of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide?
The InChIKey is NLTYFMHIKIXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6O/c1-10-5-12(18(22)28)11(2)26(8-10)16-3-4-23-19(25-16)15-7-24-17-6-14(21)13(20)9-27(15)17/h3-4,6-7,9-12H,5,8H2,1-2H3,(H2,22,28).
What are the key properties of 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide?
1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 139356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).