4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide

C19H22N8O3 — CID 67959667

IUPAC4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H22N8O3/c1-25-16(14(11-20-25)17(28)21-12-2-3-12)18(29)22-13-4-5-27-15(10-13)23-19(24-27)26-6-8-30-9-7-26/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,28)(H,22,29)
InChIKeySWYHUBMAHRFNKR-UHFFFAOYSA-N
MW410.44 g/mol
LogP0.44
Rot. Bonds5

About 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide

4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 67959667) has the molecular formula C19H22N8O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID67959667
Molecular FormulaC19H22N8O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H22N8O3/c1-25-16(14(11-20-25)17(28)21-12-2-3-12)18(29)22-13-4-5-27-15(10-13)23-19(24-27)26-6-8-30-9-7-26/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,28)(H,22,29)
InChIKeySWYHUBMAHRFNKR-UHFFFAOYSA-N
XLogP0.44
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 67959667) is 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is SWYHUBMAHRFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3/c1-25-16(14(11-20-25)17(28)21-12-2-3-12)18(29)22-13-4-5-27-15(10-13)23-19(24-27)26-6-8-30-9-7-26/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,28)(H,22,29).
What are the key properties of 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 410.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67959667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).