(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone

C20H23N5O — CID 78836734

IUPAC(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1
InChIInChI=1S/C20H23N5O/c1-2-23-8-10-24(11-9-23)20(26)18-12-17-14-22-25(19(17)21-13-18)15-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3
InChIKeyNGYCYKJHRMFTEG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.26
Rot. Bonds4

About (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 78836734) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID78836734
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1
InChIInChI=1S/C20H23N5O/c1-2-23-8-10-24(11-9-23)20(26)18-12-17-14-22-25(19(17)21-13-18)15-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3
InChIKeyNGYCYKJHRMFTEG-UHFFFAOYSA-N
XLogP2.26
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146125041
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24622694
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
1-[(4-tert-butylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16778913
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone (CID 78836734) is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1.
What is the InChIKey of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is NGYCYKJHRMFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-23-8-10-24(11-9-23)20(26)18-12-17-14-22-25(19(17)21-13-18)15-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3.
What are the key properties of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone?
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 78836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).