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

C20H24N8O3 — CID 67968025

IUPACN-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C20H24N8O3/c1-25(14-3-4-14)20-23-16-11-13(5-6-28(16)24-20)22-18(29)17-15(12-21-26(17)2)19(30)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29)
InChIKeyXFGWWICSPHTTPU-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.79
Rot. Bonds5

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

N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 67968025) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[2-[cyclopropyl(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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID67968025
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC NameN-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCN(c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1)C1CC1
InChIInChI=1S/C20H24N8O3/c1-25(14-3-4-14)20-23-16-11-13(5-6-28(16)24-20)22-18(29)17-15(12-21-26(17)2)19(30)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29)
InChIKeyXFGWWICSPHTTPU-UHFFFAOYSA-N
XLogP0.79
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 67968025) is N-[2-[cyclopropyl(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-[cyclopropyl(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-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is CN(c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is XFGWWICSPHTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-25(14-3-4-14)20-23-16-11-13(5-6-28(16)24-20)22-18(29)17-15(12-21-26(17)2)19(30)27-7-9-31-10-8-27/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,22,29).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-[2-[cyclopropyl(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 424.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(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 67968025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).