N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

C19H22N4O2 — CID 111122114

IUPACN-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(CCO)CCc3ccccc3)cc12
InChIInChI=1S/C19H22N4O2/c1-14-17-12-16(13-20-18(17)22(2)21-14)19(25)23(10-11-24)9-8-15-6-4-3-5-7-15/h3-7,12-13,24H,8-11H2,1-2H3
InChIKeyKSGJHHXCPAVBQW-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds6

About N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide

N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 111122114) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID111122114
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(CCO)CCc3ccccc3)cc12
InChIInChI=1S/C19H22N4O2/c1-14-17-12-16(13-20-18(17)22(2)21-14)19(25)23(10-11-24)9-8-15-6-4-3-5-7-15/h3-7,12-13,24H,8-11H2,1-2H3
InChIKeyKSGJHHXCPAVBQW-UHFFFAOYSA-N
XLogP1.95
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide (CID 111122114) is N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)N(CCO)CCc3ccccc3)cc12.
What is the InChIKey of N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KSGJHHXCPAVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-17-12-16(13-20-18(17)22(2)21-14)19(25)23(10-11-24)9-8-15-6-4-3-5-7-15/h3-7,12-13,24H,8-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide?
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 111122114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).