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

C23H22FN7O3 — CID 86666030

IUPAC4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCCF)nc2c1
InChIInChI=1S/C23H22FN7O3/c1-29-20(17(14-25-29)23(33)30-9-4-10-30)22(32)26-15-7-11-31-19(13-15)27-21(28-31)16-5-2-3-6-18(16)34-12-8-24/h2-3,5-7,11,13-14H,4,8-10,12H2,1H3,(H,26,32)
InChIKeyQUEDGAVIKVSJNI-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.58
Rot. Bonds7

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

4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 86666030) has the molecular formula C23H22FN7O3 and a molecular weight of 463.47 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID86666030
Molecular FormulaC23H22FN7O3
Molecular Weight463.47 g/mol
Exact Mass463.18
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCCF)nc2c1
InChIInChI=1S/C23H22FN7O3/c1-29-20(17(14-25-29)23(33)30-9-4-10-30)22(32)26-15-7-11-31-19(13-15)27-21(28-31)16-5-2-3-6-18(16)34-12-8-24/h2-3,5-7,11,13-14H,4,8-10,12H2,1H3,(H,26,32)
InChIKeyQUEDGAVIKVSJNI-UHFFFAOYSA-N
XLogP2.58
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 86666030) is 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[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-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCCF)nc2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QUEDGAVIKVSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O3/c1-29-20(17(14-25-29)23(33)30-9-4-10-30)22(32)26-15-7-11-31-19(13-15)27-21(28-31)16-5-2-3-6-18(16)34-12-8-24/h2-3,5-7,11,13-14H,4,8-10,12H2,1H3,(H,26,32).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[2-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86666030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).