N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H27N5O — CID 25343257

IUPACN-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C25H27N5O/c1-3-5-14-29(4-2)25(31)21-15-23(20-11-7-6-8-12-20)28-24-22(21)17-27-30(24)18-19-10-9-13-26-16-19/h6-13,15-17H,3-5,14,18H2,1-2H3
InChIKeyBZRFDLRHGFOBER-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.80
Rot. Bonds8

About N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25343257) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25343257
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C25H27N5O/c1-3-5-14-29(4-2)25(31)21-15-23(20-11-7-6-8-12-20)28-24-22(21)17-27-30(24)18-19-10-9-13-26-16-19/h6-13,15-17H,3-5,14,18H2,1-2H3
InChIKeyBZRFDLRHGFOBER-UHFFFAOYSA-N
XLogP4.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 25343257) is N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1.
What is the InChIKey of N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BZRFDLRHGFOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-5-14-29(4-2)25(31)21-15-23(20-11-7-6-8-12-20)28-24-22(21)17-27-30(24)18-19-10-9-13-26-16-19/h6-13,15-17H,3-5,14,18H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).