N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H19N5O2 — CID 134798704

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)c1
InChIInChI=1S/C21H19N5O2/c1-26-20-18(13-24-26)17(10-19(25-20)15-6-4-8-22-12-15)21(27)23-11-14-5-3-7-16(9-14)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,27)
InChIKeyWNIRMXAPESNEPG-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.97
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134798704) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134798704
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)c1
InChIInChI=1S/C21H19N5O2/c1-26-20-18(13-24-26)17(10-19(25-20)15-6-4-8-22-12-15)21(27)23-11-14-5-3-7-16(9-14)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,27)
InChIKeyWNIRMXAPESNEPG-UHFFFAOYSA-N
XLogP2.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
CID 162623416
Pyrazolo[3,4-d]pyrimidine 5
CID 6539956
HCAR2 agonist 1
CID 25101223
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
US9555022, Example 02.01
CID 54771711
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134798704) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WNIRMXAPESNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-26-20-18(13-24-26)17(10-19(25-20)15-6-4-8-22-12-15)21(27)23-11-14-5-3-7-16(9-14)28-2/h3-10,12-13H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134798704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).