4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide

C23H22FN7O — CID 138961722

IUPAC4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide
SMILESCc1cc(C)nc(C2CNNC2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1
InChIInChI=1S/C23H22FN7O/c1-13-8-14(2)26-18(9-13)16-11-25-29-21(16)23(32)27-19-10-20-28-22(15-6-4-3-5-7-15)30-31(20)12-17(19)24/h3-10,12,16,21,25,29H,11H2,1-2H3,(H,27,32)
InChIKeyWFFNQYYPLITVGR-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.75
Rot. Bonds4

About 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide

4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide (PubChem CID 138961722) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide
PubChem CID138961722
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide
SMILESCc1cc(C)nc(C2CNNC2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1
InChIInChI=1S/C23H22FN7O/c1-13-8-14(2)26-18(9-13)16-11-25-29-21(16)23(32)27-19-10-20-28-22(15-6-4-3-5-7-15)30-31(20)12-17(19)24/h3-10,12,16,21,25,29H,11H2,1-2H3,(H,27,32)
InChIKeyWFFNQYYPLITVGR-UHFFFAOYSA-N
XLogP2.75
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide (CID 138961722) is 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide is Cc1cc(C)nc(C2CNNC2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)c1.
What is the InChIKey of 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide?
The InChIKey is WFFNQYYPLITVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-13-8-14(2)26-18(9-13)16-11-25-29-21(16)23(32)27-19-10-20-28-22(15-6-4-3-5-7-15)30-31(20)12-17(19)24/h3-10,12,16,21,25,29H,11H2,1-2H3,(H,27,32).
What are the key properties of 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide?
4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-pyridinyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 138961722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).