N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N6O2 — CID 51854181

IUPACN-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H26N6O2/c1-6-29-11-10-19(27-29)14(2)24-23(30)18-13-20(16-8-7-9-17(12-16)31-5)25-22-21(18)15(3)26-28(22)4/h7-14H,6H2,1-5H3,(H,24,30)/t14-/m1/s1
InChIKeyVANFLAZSWUHBNA-CQSZACIVSA-N
MW418.50 g/mol
LogP3.66
Rot. Bonds6

About N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51854181) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51854181
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H26N6O2/c1-6-29-11-10-19(27-29)14(2)24-23(30)18-13-20(16-8-7-9-17(12-16)31-5)25-22-21(18)15(3)26-28(22)4/h7-14H,6H2,1-5H3,(H,24,30)/t14-/m1/s1
InChIKeyVANFLAZSWUHBNA-CQSZACIVSA-N
XLogP3.66
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822123
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509893
6-(4-methoxyphenyl)-1,3-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852961
6-(4-methoxyphenyl)-1,3-dimethyl-N-[(2R)-1-(3-methylpyrazol-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51853045
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822673
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51854181) is N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)n1.
What is the InChIKey of N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VANFLAZSWUHBNA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-6-29-11-10-19(27-29)14(2)24-23(30)18-13-20(16-8-7-9-17(12-16)31-5)25-22-21(18)15(3)26-28(22)4/h7-14H,6H2,1-5H3,(H,24,30)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).