4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C20H17FN8O2 — CID 67775398

IUPAC4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C20H17FN8O2/c1-27-16(14(11-23-27)20(31)28-7-3-8-28)19(30)24-12-5-9-29-15(10-12)25-18(26-29)13-4-2-6-22-17(13)21/h2,4-6,9-11H,3,7-8H2,1H3,(H,24,30)
InChIKeyTXLQGRXJJKUSQT-UHFFFAOYSA-N
MW420.41 g/mol
LogP1.76
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 67775398) has the molecular formula C20H17FN8O2 and a molecular weight of 420.41 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID67775398
Molecular FormulaC20H17FN8O2
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C20H17FN8O2/c1-27-16(14(11-23-27)20(31)28-7-3-8-28)19(30)24-12-5-9-29-15(10-12)25-18(26-29)13-4-2-6-22-17(13)21/h2,4-6,9-11H,3,7-8H2,1H3,(H,24,30)
InChIKeyTXLQGRXJJKUSQT-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-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-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 67775398) is 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-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-(2-fluoro-3-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-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is TXLQGRXJJKUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O2/c1-27-16(14(11-23-27)20(31)28-7-3-8-28)19(30)24-12-5-9-29-15(10-12)25-18(26-29)13-4-2-6-22-17(13)21/h2,4-6,9-11H,3,7-8H2,1H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 420.41 g/mol, XLogP of 1.76, 4 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-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67775398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).