N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H22BrN5O — CID 55886615

IUPACN-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)c3ccc(Br)cc3)c12
InChIInChI=1S/C24H22BrN5O/c1-15-22-20(13-21(16-6-7-16)27-23(22)29(2)28-15)24(31)30(14-18-5-3-4-12-26-18)19-10-8-17(25)9-11-19/h3-5,8-13,16H,6-7,14H2,1-2H3
InChIKeyOBKZOIHTJLZEPI-UHFFFAOYSA-N
MW476.38 g/mol
LogP5.16
Rot. Bonds5

About N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55886615) has the molecular formula C24H22BrN5O and a molecular weight of 476.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55886615
Molecular FormulaC24H22BrN5O
Molecular Weight476.38 g/mol
Exact Mass475.10
IUPAC NameN-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)c3ccc(Br)cc3)c12
InChIInChI=1S/C24H22BrN5O/c1-15-22-20(13-21(16-6-7-16)27-23(22)29(2)28-15)24(31)30(14-18-5-3-4-12-26-18)19-10-8-17(25)9-11-19/h3-5,8-13,16H,6-7,14H2,1-2H3
InChIKeyOBKZOIHTJLZEPI-UHFFFAOYSA-N
XLogP5.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55886615) is N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)c3ccc(Br)cc3)c12.
What is the InChIKey of N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OBKZOIHTJLZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O/c1-15-22-20(13-21(16-6-7-16)27-23(22)29(2)28-15)24(31)30(14-18-5-3-4-12-26-18)19-10-8-17(25)9-11-19/h3-5,8-13,16H,6-7,14H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 476.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-cyclopropyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55886615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).