[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

C29H33N7O — CID 146125217

IUPAC[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C29H33N7O/c37-29(35-17-15-34(16-18-35)14-13-33-11-4-5-12-33)25-19-27(24-8-2-1-3-9-24)32-28-26(25)21-31-36(28)22-23-7-6-10-30-20-23/h1-3,6-10,19-21H,4-5,11-18,22H2
InChIKeyDESYILDBPAMDQS-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.40
Rot. Bonds7

About [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 146125217) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
PubChem CID146125217
Molecular FormulaC29H33N7O
Molecular Weight495.63 g/mol
Exact Mass495.27
IUPAC Name[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C29H33N7O/c37-29(35-17-15-34(16-18-35)14-13-33-11-4-5-12-33)25-19-27(24-8-2-1-3-9-24)32-28-26(25)21-31-36(28)22-23-7-6-10-30-20-23/h1-3,6-10,19-21H,4-5,11-18,22H2
InChIKeyDESYILDBPAMDQS-UHFFFAOYSA-N
XLogP3.40
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
CID 167806643
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 55503967
[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17480576
N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446311
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25343257
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (CID 146125217) is [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is DESYILDBPAMDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O/c37-29(35-17-15-34(16-18-35)14-13-33-11-4-5-12-33)25-19-27(24-8-2-1-3-9-24)32-28-26(25)21-31-36(28)22-23-7-6-10-30-20-23/h1-3,6-10,19-21H,4-5,11-18,22H2.
What are the key properties of [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 495.63 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146125217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).