4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

C21H14ClFN8O — CID 90383372

IUPAC4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2ncncc2Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H14ClFN8O/c1-30-19(13(8-26-30)18-14(22)9-24-11-25-18)21(32)27-16-7-17-28-20(12-5-3-2-4-6-12)29-31(17)10-15(16)23/h2-11H,1H3,(H,27,32)
InChIKeyGSXUXWNXHRTCPN-UHFFFAOYSA-N
MW448.85 g/mol
LogP3.63
Rot. Bonds4

About 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383372) has the molecular formula C21H14ClFN8O and a molecular weight of 448.85 g/mol. Its IUPAC name is 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383372
Molecular FormulaC21H14ClFN8O
Molecular Weight448.85 g/mol
Exact Mass448.10
IUPAC Name4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2ncncc2Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H14ClFN8O/c1-30-19(13(8-26-30)18-14(22)9-24-11-25-18)21(32)27-16-7-17-28-20(12-5-3-2-4-6-12)29-31(17)10-15(16)23/h2-11H,1H3,(H,27,32)
InChIKeyGSXUXWNXHRTCPN-UHFFFAOYSA-N
XLogP3.63
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 90383372) is 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2ncncc2Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F.
What is the InChIKey of 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GSXUXWNXHRTCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN8O/c1-30-19(13(8-26-30)18-14(22)9-24-11-25-18)21(32)27-16-7-17-28-20(12-5-3-2-4-6-12)29-31(17)10-15(16)23/h2-11H,1H3,(H,27,32).
What are the key properties of 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 448.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).