4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C20H17FN8O2 — CID 57377960

IUPAC4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1
InChIInChI=1S/C20H17FN8O2/c1-27-17(15(9-23-27)20(31)28-10-13(21)11-28)19(30)24-14-4-6-29-16(7-14)25-18(26-29)12-3-2-5-22-8-12/h2-9,13H,10-11H2,1H3,(H,24,30)
InChIKeyMWTXFKXBBQMSPC-UHFFFAOYSA-N
MW420.41 g/mol
LogP1.57
Rot. Bonds4

About 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57377960) has the molecular formula C20H17FN8O2 and a molecular weight of 420.41 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57377960
Molecular FormulaC20H17FN8O2
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1
InChIInChI=1S/C20H17FN8O2/c1-27-17(15(9-23-27)20(31)28-10-13(21)11-28)19(30)24-14-4-6-29-16(7-14)25-18(26-29)12-3-2-5-22-8-12/h2-9,13H,10-11H2,1H3,(H,24,30)
InChIKeyMWTXFKXBBQMSPC-UHFFFAOYSA-N
XLogP1.57
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57377960) is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1.
What is the InChIKey of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is MWTXFKXBBQMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O2/c1-27-17(15(9-23-27)20(31)28-10-13(21)11-28)19(30)24-14-4-6-29-16(7-14)25-18(26-29)12-3-2-5-22-8-12/h2-9,13H,10-11H2,1H3,(H,24,30).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 420.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).