1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C30H36N6O — CID 20928162

IUPAC1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(CN5CCN(CC)CC5)cc4)cc(C)nc32)cc1
InChIInChI=1S/C30H36N6O/c1-5-23-9-13-26(14-10-23)36-29-28(22(4)33-36)27(19-21(3)31-29)30(37)32-25-11-7-24(8-12-25)20-35-17-15-34(6-2)16-18-35/h7-14,19H,5-6,15-18,20H2,1-4H3,(H,32,37)
InChIKeyPHBSKXRGKDIRRW-UHFFFAOYSA-N
MW496.66 g/mol
LogP4.99
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928162) has the molecular formula C30H36N6O and a molecular weight of 496.66 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928162
Molecular FormulaC30H36N6O
Molecular Weight496.66 g/mol
Exact Mass496.30
IUPAC Name1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(CN5CCN(CC)CC5)cc4)cc(C)nc32)cc1
InChIInChI=1S/C30H36N6O/c1-5-23-9-13-26(14-10-23)36-29-28(22(4)33-36)27(19-21(3)31-29)30(37)32-25-11-7-24(8-12-25)20-35-17-15-34(6-2)16-18-35/h7-14,19H,5-6,15-18,20H2,1-4H3,(H,32,37)
InChIKeyPHBSKXRGKDIRRW-UHFFFAOYSA-N
XLogP4.99
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
1-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927974
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928153
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928116
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1-ethyl-3,6-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533776
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928162) is 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(CN5CCN(CC)CC5)cc4)cc(C)nc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PHBSKXRGKDIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O/c1-5-23-9-13-26(14-10-23)36-29-28(22(4)33-36)27(19-21(3)31-29)30(37)32-25-11-7-24(8-12-25)20-35-17-15-34(6-2)16-18-35/h7-14,19H,5-6,15-18,20H2,1-4H3,(H,32,37).
What are the key properties of 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 496.66 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).