(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

C26H34N6O — CID 112800014

IUPAC(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(CCN4CCCC4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H34N6O/c1-20(2)32-25-23(19-27-32)22(18-24(28-25)21-8-4-3-5-9-21)26(33)31-16-14-30(15-17-31)13-12-29-10-6-7-11-29/h3-5,8-9,18-20H,6-7,10-17H2,1-2H3
InChIKeyOXHBQEGGPGQRGY-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.53
Rot. Bonds6

About (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 112800014) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
PubChem CID112800014
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(CCN4CCCC4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H34N6O/c1-20(2)32-25-23(19-27-32)22(18-24(28-25)21-8-4-3-5-9-21)26(33)31-16-14-30(15-17-31)13-12-29-10-6-7-11-29/h3-5,8-9,18-20H,6-7,10-17H2,1-2H3
InChIKeyOXHBQEGGPGQRGY-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone with MolForge

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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
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
CID 56532547
[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 146125217
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554726
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
[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
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

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (CID 112800014) is (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is CC(C)n1ncc2c(C(=O)N3CCN(CCN4CCCC4)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is OXHBQEGGPGQRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-20(2)32-25-23(19-27-32)22(18-24(28-25)21-8-4-3-5-9-21)26(33)31-16-14-30(15-17-31)13-12-29-10-6-7-11-29/h3-5,8-9,18-20H,6-7,10-17H2,1-2H3.
What are the key properties of (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 446.60 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112800014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).