N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H28N6O2 — CID 44822123

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)Cc3cn(C)nc3C)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C24H28N6O2/c1-14(10-18-13-29(4)27-15(18)2)25-24(31)20-12-21(17-8-7-9-19(11-17)32-6)26-23-22(20)16(3)28-30(23)5/h7-9,11-14H,10H2,1-6H3,(H,25,31)
InChIKeyKGZRWSPEMYITLO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822123) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822123
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)Cc3cn(C)nc3C)c3c(C)nn(C)c3n2)c1
InChIInChI=1S/C24H28N6O2/c1-14(10-18-13-29(4)27-15(18)2)25-24(31)20-12-21(17-8-7-9-19(11-17)32-6)26-23-22(20)16(3)28-30(23)5/h7-9,11-14H,10H2,1-6H3,(H,25,31)
InChIKeyKGZRWSPEMYITLO-UHFFFAOYSA-N
XLogP3.36
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854181
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
6-(3-methoxyphenyl)-1,3-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822673
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
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508693
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
[2-oxo-2-(pentan-2-ylamino)ethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509352
6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
CID 92627441

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822123) is N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)Cc3cn(C)nc3C)c3c(C)nn(C)c3n2)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KGZRWSPEMYITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14(10-18-13-29(4)27-15(18)2)25-24(31)20-12-21(17-8-7-9-19(11-17)32-6)26-23-22(20)16(3)28-30(23)5/h7-9,11-14H,10H2,1-6H3,(H,25,31).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).