1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C24H25N5OS — CID 24640473

IUPAC1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C24H25N5OS/c30-24(26-16-21(22-9-6-12-31-22)28-10-4-5-11-28)20-13-19-15-27-29(23(19)25-14-20)17-18-7-2-1-3-8-18/h1-3,6-9,12-15,21H,4-5,10-11,16-17H2,(H,26,30)
InChIKeyBOFHHQULSQSCNC-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.11
Rot. Bonds7

About 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24640473) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24640473
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C24H25N5OS/c30-24(26-16-21(22-9-6-12-31-22)28-10-4-5-11-28)20-13-19-15-27-29(23(19)25-14-20)17-18-7-2-1-3-8-18/h1-3,6-9,12-15,21H,4-5,10-11,16-17H2,(H,26,30)
InChIKeyBOFHHQULSQSCNC-UHFFFAOYSA-N
XLogP4.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24640473) is 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCC(c1cccs1)N1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BOFHHQULSQSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c30-24(26-16-21(22-9-6-12-31-22)28-10-4-5-11-28)20-13-19-15-27-29(23(19)25-14-20)17-18-7-2-1-3-8-18/h1-3,6-9,12-15,21H,4-5,10-11,16-17H2,(H,26,30).
What are the key properties of 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24640473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).