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

C19H21FN8O3 — CID 57377956

IUPAC4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H21FN8O3/c1-25-16(14(9-21-25)18(30)27-10-12(20)11-27)17(29)22-13-2-3-28-15(8-13)23-19(24-28)26-4-6-31-7-5-26/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,29)
InChIKeyBGZGUOKOKNXVNF-UHFFFAOYSA-N
MW428.43 g/mol
LogP0.35
Rot. Bonds4

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

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57377956) has the molecular formula C19H21FN8O3 and a molecular weight of 428.43 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-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-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57377956
Molecular FormulaC19H21FN8O3
Molecular Weight428.43 g/mol
Exact Mass428.17
IUPAC Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H21FN8O3/c1-25-16(14(9-21-25)18(30)27-10-12(20)11-27)17(29)22-13-2-3-28-15(8-13)23-19(24-28)26-4-6-31-7-5-26/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,29)
InChIKeyBGZGUOKOKNXVNF-UHFFFAOYSA-N
XLogP0.35
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-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-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57377956) is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-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-morpholin-4-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-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is BGZGUOKOKNXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8O3/c1-25-16(14(9-21-25)18(30)27-10-12(20)11-27)17(29)22-13-2-3-28-15(8-13)23-19(24-28)26-4-6-31-7-5-26/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,22,29).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).