N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C23H28N4O3 — CID 46410868

IUPACN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ncc3cc(C(=O)NC4CCCCCC4)cnc32)c(OC)c1
InChIInChI=1S/C23H28N4O3/c1-29-20-10-9-16(21(12-20)30-2)15-27-22-17(14-25-27)11-18(13-24-22)23(28)26-19-7-5-3-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,28)
InChIKeyXUHISEWDLQQSQV-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.95
Rot. Bonds6

About N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46410868) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46410868
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ncc3cc(C(=O)NC4CCCCCC4)cnc32)c(OC)c1
InChIInChI=1S/C23H28N4O3/c1-29-20-10-9-16(21(12-20)30-2)15-27-22-17(14-25-27)11-18(13-24-22)23(28)26-19-7-5-3-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,28)
InChIKeyXUHISEWDLQQSQV-UHFFFAOYSA-N
XLogP3.95
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55724733
N-(1-amino-2-methylpropan-2-yl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119523052
1-[(2,4-dimethoxyphenyl)methyl]-N-[1-(oxolan-2-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632561
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46409802
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55796905
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55631434
N-(3-amino-2-methylpropyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119998253
methyl 2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-methylpentanoate
CID 55670298
[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862511
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124611573
1-[(2,4-dimethoxyphenyl)methyl]-N-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 124613648

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 46410868) is N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Cn2ncc3cc(C(=O)NC4CCCCCC4)cnc32)c(OC)c1.
What is the InChIKey of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XUHISEWDLQQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-20-10-9-16(21(12-20)30-2)15-27-22-17(14-25-27)11-18(13-24-22)23(28)26-19-7-5-3-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,28).
What are the key properties of N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46410868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).