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

C19H24N8O2 — CID 71538690

IUPAC4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1
InChIInChI=1S/C19H24N8O2/c1-4-25(5-2)19-22-15-8-7-13(12-27(15)23-19)21-17(28)16-14(11-20-24(16)3)18(29)26-9-6-10-26/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,28)
InChIKeyGYBBIJWODKWJIZ-UHFFFAOYSA-N
MW396.46 g/mol
LogP1.41
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 71538690) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
PubChem CID71538690
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1
InChIInChI=1S/C19H24N8O2/c1-4-25(5-2)19-22-15-8-7-13(12-27(15)23-19)21-17(28)16-14(11-20-24(16)3)18(29)26-9-6-10-26/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,28)
InChIKeyGYBBIJWODKWJIZ-UHFFFAOYSA-N
XLogP1.41
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.41
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-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide (CID 71538690) is 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide is CCN(CC)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GYBBIJWODKWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-4-25(5-2)19-22-15-8-7-13(12-27(15)23-19)21-17(28)16-14(11-20-24(16)3)18(29)26-9-6-10-26/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 1.41, 6 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-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).