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

C19H22N8O2 — CID 67968033

IUPAC4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C19H22N8O2/c1-24(13-4-5-13)19-22-15-10-12(6-9-27(15)23-19)21-17(28)16-14(11-20-25(16)2)18(29)26-7-3-8-26/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,28)
InChIKeyMGTICEKUZOWQOJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.16
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 67968033) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID67968033
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C19H22N8O2/c1-24(13-4-5-13)19-22-15-10-12(6-9-27(15)23-19)21-17(28)16-14(11-20-25(16)2)18(29)26-7-3-8-26/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,28)
InChIKeyMGTICEKUZOWQOJ-UHFFFAOYSA-N
XLogP1.16
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.16
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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 67968033) is 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is CN(c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1)C1CC1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is MGTICEKUZOWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-24(13-4-5-13)19-22-15-10-12(6-9-27(15)23-19)21-17(28)16-14(11-20-25(16)2)18(29)26-7-3-8-26/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.16, 5 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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67968033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).