N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H23N5O — CID 41042469

IUPACN-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)C1CC1
InChIInChI=1S/C24H23N5O/c1-16(18-7-8-18)27-24(30)20-13-22(19-5-3-2-4-6-19)28-23-21(20)14-26-29(23)15-17-9-11-25-12-10-17/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,27,30)/t16-/m1/s1
InChIKeyPAVDAVJKSARDTE-MRXNPFEDSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41042469) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID41042469
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)C1CC1
InChIInChI=1S/C24H23N5O/c1-16(18-7-8-18)27-24(30)20-13-22(19-5-3-2-4-6-19)28-23-21(20)14-26-29(23)15-17-9-11-25-12-10-17/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,27,30)/t16-/m1/s1
InChIKeyPAVDAVJKSARDTE-MRXNPFEDSA-N
XLogP4.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 41042469) is N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PAVDAVJKSARDTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16(18-7-8-18)27-24(30)20-13-22(19-5-3-2-4-6-19)28-23-21(20)14-26-29(23)15-17-9-11-25-12-10-17/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,27,30)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41042469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).