4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H20FN7O — CID 90383092

IUPAC4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2ccc(F)cn2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H20FN7O/c1-29-20(17(13-25-29)18-8-7-15(23)12-24-18)22(31)26-16-9-10-30-19(11-16)27-21(28-30)14-5-3-2-4-6-14/h2-8,12-13,16H,9-11H2,1H3,(H,26,31)
InChIKeyGLAKGGNEHJBGFV-UHFFFAOYSA-N
MW417.45 g/mol
LogP2.62
Rot. Bonds4

About 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383092) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383092
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2ccc(F)cn2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H20FN7O/c1-29-20(17(13-25-29)18-8-7-15(23)12-24-18)22(31)26-16-9-10-30-19(11-16)27-21(28-30)14-5-3-2-4-6-14/h2-8,12-13,16H,9-11H2,1H3,(H,26,31)
InChIKeyGLAKGGNEHJBGFV-UHFFFAOYSA-N
XLogP2.62
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383092) is 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2ccc(F)cn2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is GLAKGGNEHJBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-29-20(17(13-25-29)18-8-7-15(23)12-24-18)22(31)26-16-9-10-30-19(11-16)27-21(28-30)14-5-3-2-4-6-14/h2-8,12-13,16H,9-11H2,1H3,(H,26,31).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).