4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H21FN8O3 — CID 165414864

IUPAC4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)n3)nc2c1
InChIInChI=1S/C22H21FN8O3/c1-29-19(15(13-24-29)22(33)30-8-3-9-30)21(32)25-14-6-10-31-17(12-14)27-20(28-31)16-4-2-5-18(26-16)34-11-7-23/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,25,32)
InChIKeyPQZPCRZOLCEENB-UHFFFAOYSA-N
MW464.46 g/mol
LogP1.97
Rot. Bonds7

About 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414864) has the molecular formula C22H21FN8O3 and a molecular weight of 464.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414864
Molecular FormulaC22H21FN8O3
Molecular Weight464.46 g/mol
Exact Mass464.17
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)n3)nc2c1
InChIInChI=1S/C22H21FN8O3/c1-29-19(15(13-24-29)22(33)30-8-3-9-30)21(32)25-14-6-10-31-17(12-14)27-20(28-31)16-4-2-5-18(26-16)34-11-7-23/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,25,32)
InChIKeyPQZPCRZOLCEENB-UHFFFAOYSA-N
XLogP1.97
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414864) is 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)n3)nc2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PQZPCRZOLCEENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O3/c1-29-19(15(13-24-29)22(33)30-8-3-9-30)21(32)25-14-6-10-31-17(12-14)27-20(28-31)16-4-2-5-18(26-16)34-11-7-23/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,25,32).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 464.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[6-(2-fluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).