[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

C26H34N6O — CID 17480576

IUPAC[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1ccc(Cn2ncc3c(C(=O)N4CCN(CCN5CCCC5)CC4)cc(C)nc32)cc1
InChIInChI=1S/C26H34N6O/c1-20-5-7-22(8-6-20)19-32-25-24(18-27-32)23(17-21(2)28-25)26(33)31-15-13-30(14-16-31)12-11-29-9-3-4-10-29/h5-8,17-18H,3-4,9-16,19H2,1-2H3
InChIKeyDQZYWJUVKNMJKI-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.95
Rot. Bonds6

About [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 17480576) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
PubChem CID17480576
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1ccc(Cn2ncc3c(C(=O)N4CCN(CCN5CCCC5)CC4)cc(C)nc32)cc1
InChIInChI=1S/C26H34N6O/c1-20-5-7-22(8-6-20)19-32-25-24(18-27-32)23(17-21(2)28-25)26(33)31-15-13-30(14-16-31)12-11-29-9-3-4-10-29/h5-8,17-18H,3-4,9-16,19H2,1-2H3
InChIKeyDQZYWJUVKNMJKI-UHFFFAOYSA-N
XLogP2.95
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 30951385
[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 146125217
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46636846
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110882472
(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 44822917
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
N-(2-methoxy-5-methylphenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 9244561
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 32679602
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46636760
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (CID 17480576) is [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is Cc1ccc(Cn2ncc3c(C(=O)N4CCN(CCN5CCCC5)CC4)cc(C)nc32)cc1.
What is the InChIKey of [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is DQZYWJUVKNMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-20-5-7-22(8-6-20)19-32-25-24(18-27-32)23(17-21(2)28-25)26(33)31-15-13-30(14-16-31)12-11-29-9-3-4-10-29/h5-8,17-18H,3-4,9-16,19H2,1-2H3.
What are the key properties of [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 446.60 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17480576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).