N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H24N6O — CID 86847107

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12
InChIInChI=1S/C26H24N6O/c1-16-23-20(25(33)29-19-11-9-18(10-12-19)26(2,3)15-27)14-21(17-7-8-17)30-24(23)32(31-16)22-6-4-5-13-28-22/h4-6,9-14,17H,7-8H2,1-3H3,(H,29,33)
InChIKeyDEKYOQHIUXUNIR-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.05
Rot. Bonds5

About N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86847107) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86847107
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12
InChIInChI=1S/C26H24N6O/c1-16-23-20(25(33)29-19-11-9-18(10-12-19)26(2,3)15-27)14-21(17-7-8-17)30-24(23)32(31-16)22-6-4-5-13-28-22/h4-6,9-14,17H,7-8H2,1-3H3,(H,29,33)
InChIKeyDEKYOQHIUXUNIR-UHFFFAOYSA-N
XLogP5.05
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 86847107) is N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DEKYOQHIUXUNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-23-20(25(33)29-19-11-9-18(10-12-19)26(2,3)15-27)14-21(17-7-8-17)30-24(23)32(31-16)22-6-4-5-13-28-22/h4-6,9-14,17H,7-8H2,1-3H3,(H,29,33).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86847107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).