N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C19H24N8O3 — CID 57378181

IUPACN-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H24N8O3/c1-4-24(2)19-22-15-11-13(5-6-27(15)23-19)21-17(28)16-14(12-20-25(16)3)18(29)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28)
InChIKeyNVOUOERKESIZEB-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.64
Rot. Bonds5

About N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 57378181) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID57378181
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC NameN-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H24N8O3/c1-4-24(2)19-22-15-11-13(5-6-27(15)23-19)21-17(28)16-14(12-20-25(16)3)18(29)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28)
InChIKeyNVOUOERKESIZEB-UHFFFAOYSA-N
XLogP0.64
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 57378181) is N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is CCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is NVOUOERKESIZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O3/c1-4-24(2)19-22-15-11-13(5-6-27(15)23-19)21-17(28)16-14(12-20-25(16)3)18(29)26-7-9-30-10-8-26/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,28).
What are the key properties of N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57378181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).