N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H18ClN5O — CID 9321826

IUPACN-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(C3CC3)nc21
InChIInChI=1S/C20H18ClN5O/c1-11(2)26-19-16(10-23-26)15(8-18(25-19)12-3-4-12)20(27)24-14-6-5-13(9-22)17(21)7-14/h5-8,10-12H,3-4H2,1-2H3,(H,24,27)
InChIKeyVRARSZQUDYGVSR-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.67
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9321826) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9321826
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(C3CC3)nc21
InChIInChI=1S/C20H18ClN5O/c1-11(2)26-19-16(10-23-26)15(8-18(25-19)12-3-4-12)20(27)24-14-6-5-13(9-22)17(21)7-14/h5-8,10-12H,3-4H2,1-2H3,(H,24,27)
InChIKeyVRARSZQUDYGVSR-UHFFFAOYSA-N
XLogP4.67
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9321826) is N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(C3CC3)nc21.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VRARSZQUDYGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-11(2)26-19-16(10-23-26)15(8-18(25-19)12-3-4-12)20(27)24-14-6-5-13(9-22)17(21)7-14/h5-8,10-12H,3-4H2,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9321826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).