5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C25H20F3N7O2 — CID 118887178

IUPAC5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)c(C#N)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H20F3N7O2/c1-15-19(16-8-22(34-4-6-37-7-5-34)23-30-2-3-35(23)14-16)9-18(13-31-15)33-24(36)21-10-20(25(26,27)28)17(11-29)12-32-21/h2-3,8-10,12-14H,4-7H2,1H3,(H,33,36)
InChIKeyFQSRMSQVPXMGOR-UHFFFAOYSA-N
MW507.48 g/mol
LogP4.08
Rot. Bonds4

About 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118887178) has the molecular formula C25H20F3N7O2 and a molecular weight of 507.48 g/mol. Its IUPAC name is 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118887178
Molecular FormulaC25H20F3N7O2
Molecular Weight507.48 g/mol
Exact Mass507.16
IUPAC Name5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)c(C#N)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H20F3N7O2/c1-15-19(16-8-22(34-4-6-37-7-5-34)23-30-2-3-35(23)14-16)9-18(13-31-15)33-24(36)21-10-20(25(26,27)28)17(11-29)12-32-21/h2-3,8-10,12-14H,4-7H2,1H3,(H,33,36)
InChIKeyFQSRMSQVPXMGOR-UHFFFAOYSA-N
XLogP4.08
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 118887178) is 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)c(C#N)cn2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FQSRMSQVPXMGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O2/c1-15-19(16-8-22(34-4-6-37-7-5-34)23-30-2-3-35(23)14-16)9-18(13-31-15)33-24(36)21-10-20(25(26,27)28)17(11-29)12-32-21/h2-3,8-10,12-14H,4-7H2,1H3,(H,33,36).
What are the key properties of 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 507.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118887178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).