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

C22H28N8O3 — CID 57378067

IUPAC4-N-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CCCC1
InChIInChI=1S/C22H28N8O3/c1-27(16-5-3-4-6-16)21(32)17-14-23-28(2)19(17)20(31)24-15-7-8-30-18(13-15)25-22(26-30)29-9-11-33-12-10-29/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,24,31)
InChIKeyQSLRITKWOGNVLR-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.57
Rot. Bonds5

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

4-N-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 57378067) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N,1-dimethyl-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-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID57378067
Molecular FormulaC22H28N8O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Name4-N-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CCCC1
InChIInChI=1S/C22H28N8O3/c1-27(16-5-3-4-6-16)21(32)17-14-23-28(2)19(17)20(31)24-15-7-8-30-18(13-15)25-22(26-30)29-9-11-33-12-10-29/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,24,31)
InChIKeyQSLRITKWOGNVLR-UHFFFAOYSA-N
XLogP1.57
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N,1-dimethyl-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-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 57378067) is 4-N-cyclopentyl-4-N,1-dimethyl-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-cyclopentyl-4-N,1-dimethyl-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-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is QSLRITKWOGNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-27(16-5-3-4-6-16)21(32)17-14-23-28(2)19(17)20(31)24-15-7-8-30-18(13-15)25-22(26-30)29-9-11-33-12-10-29/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,24,31).
What are the key properties of 4-N-cyclopentyl-4-N,1-dimethyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-cyclopentyl-4-N,1-dimethyl-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 452.52 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N,1-dimethyl-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 57378067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).