3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile

C25H30N6O — CID 56532547

IUPAC3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
SMILESCC(C)C(C#N)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C25H30N6O/c1-17(2)23(15-26)29-10-12-30(13-11-29)25(32)20-14-22(19-8-6-5-7-9-19)28-24-21(20)16-27-31(24)18(3)4/h5-9,14,16-18,23H,10-13H2,1-4H3
InChIKeyDAHHFLDYAQKLPV-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.99
Rot. Bonds5

About 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile

3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile (PubChem CID 56532547) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
PubChem CID56532547
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
SMILESCC(C)C(C#N)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C25H30N6O/c1-17(2)23(15-26)29-10-12-30(13-11-29)25(32)20-14-22(19-8-6-5-7-9-19)28-24-21(20)16-27-31(24)18(3)4/h5-9,14,16-18,23H,10-13H2,1-4H3
InChIKeyDAHHFLDYAQKLPV-UHFFFAOYSA-N
XLogP3.99
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 26004820
[4-(3-nitrophenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55780554
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808184
[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46689804
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile (CID 56532547) is 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile is CC(C)C(C#N)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile?
The InChIKey is DAHHFLDYAQKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17(2)23(15-26)29-10-12-30(13-11-29)25(32)20-14-22(19-8-6-5-7-9-19)28-24-21(20)16-27-31(24)18(3)4/h5-9,14,16-18,23H,10-13H2,1-4H3.
What are the key properties of 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile?
3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile has a molecular weight of 430.56 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 56532547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).