1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C23H30N6O — CID 38447194

IUPAC1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H30N6O/c1-17-16-20(21-18(2)26-27(3)22(21)25-17)23(30)24-10-7-11-28-12-14-29(15-13-28)19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,24,30)
InChIKeySSSIYHUNFHHWJL-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.53
Rot. Bonds6

About 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 38447194) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID38447194
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H30N6O/c1-17-16-20(21-18(2)26-27(3)22(21)25-17)23(30)24-10-7-11-28-12-14-29(15-13-28)19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,24,30)
InChIKeySSSIYHUNFHHWJL-UHFFFAOYSA-N
XLogP2.53
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
1-(3-fluorophenyl)-3,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928060
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
1,3,6-trimethyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55692200
2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
CID 86891495
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 38447194) is 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SSSIYHUNFHHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17-16-20(21-18(2)26-27(3)22(21)25-17)23(30)24-10-7-11-28-12-14-29(15-13-28)19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,24,30).
What are the key properties of 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38447194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).