2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

C25H35N5 — CID 23527197

IUPAC2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1cccn1C)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C25H35N5/c1-7-12-29(17-21-10-8-13-27(21)5)25-22-11-9-14-30(24(22)26-28(25)6)23-19(3)15-18(2)16-20(23)4/h8,10,13,15-16H,7,9,11-12,14,17H2,1-6H3
InChIKeyYGCFGOQZNQJBTF-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.18
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 23527197) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID23527197
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1cccn1C)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C25H35N5/c1-7-12-29(17-21-10-8-13-27(21)5)25-22-11-9-14-30(24(22)26-28(25)6)23-19(3)15-18(2)16-20(23)4/h8,10,13,15-16H,7,9,11-12,14,17H2,1-6H3
InChIKeyYGCFGOQZNQJBTF-UHFFFAOYSA-N
XLogP5.18
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 23527197) is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCN(Cc1cccn1C)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is YGCFGOQZNQJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5/c1-7-12-29(17-21-10-8-13-27(21)5)25-22-11-9-14-30(24(22)26-28(25)6)23-19(3)15-18(2)16-20(23)4/h8,10,13,15-16H,7,9,11-12,14,17H2,1-6H3.
What are the key properties of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 405.59 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 23527197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).