4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide

C22H23N7O4 — CID 165414891

IUPAC4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)N(CCO)CCO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H23N7O4/c1-27-19(17(14-23-27)22(33)28(9-11-30)10-12-31)21(32)24-16-7-8-29-18(13-16)25-20(26-29)15-5-3-2-4-6-15/h2-8,13-14,30-31H,9-12H2,1H3,(H,24,32)
InChIKeyZMIJHZCCGVOKKS-UHFFFAOYSA-N
MW449.47 g/mol
LogP0.81
Rot. Bonds8

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

4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 165414891) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID165414891
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)N(CCO)CCO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H23N7O4/c1-27-19(17(14-23-27)22(33)28(9-11-30)10-12-31)21(32)24-16-7-8-29-18(13-16)25-20(26-29)15-5-3-2-4-6-15/h2-8,13-14,30-31H,9-12H2,1H3,(H,24,32)
InChIKeyZMIJHZCCGVOKKS-UHFFFAOYSA-N
XLogP0.81
TPSA137.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide with MolForge

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Related Compounds

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(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide (CID 165414891) is 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)N(CCO)CCO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is ZMIJHZCCGVOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-27-19(17(14-23-27)22(33)28(9-11-30)10-12-31)21(32)24-16-7-8-29-18(13-16)25-20(26-29)15-5-3-2-4-6-15/h2-8,13-14,30-31H,9-12H2,1H3,(H,24,32).
What are the key properties of 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide?
4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 449.47 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-hydroxyethyl)-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).