N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C24H31N5O — CID 42939395

IUPACN-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H31N5O/c1-16-21(17(2)25-24-23(16)18(3)27-28(24)4)10-11-22(30)26-20-12-13-29(15-20)14-19-8-6-5-7-9-19/h5-9,20H,10-15H2,1-4H3,(H,26,30)
InChIKeyZICDVDAHKNXIOS-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.22
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 42939395) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID42939395
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H31N5O/c1-16-21(17(2)25-24-23(16)18(3)27-28(24)4)10-11-22(30)26-20-12-13-29(15-20)14-19-8-6-5-7-9-19/h5-9,20H,10-15H2,1-4H3,(H,26,30)
InChIKeyZICDVDAHKNXIOS-UHFFFAOYSA-N
XLogP3.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
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N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 25347389
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
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N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 42939395) is N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is ZICDVDAHKNXIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-16-21(17(2)25-24-23(16)18(3)27-28(24)4)10-11-22(30)26-20-12-13-29(15-20)14-19-8-6-5-7-9-19/h5-9,20H,10-15H2,1-4H3,(H,26,30).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 405.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 42939395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).