N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H25N5O2 — CID 60578349

About N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60578349) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 60578349
• Molecular Formula: C27H25N5O2
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C27H25N5O2/c1-16(2)32-26-23(15-29-32)22(13-25(30-26)19-6-7-19)27(33)31-24-11-10-21(12-17(24)3)34-20-8-4-18(14-28)5-9-20/h4-5,8-13,15-16,19H,6-7H2,1-3H3,(H,31,33)
• InChIKey: KXJJHIWKCKOHDP-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60578349) is N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.

What is the InChIKey of N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is KXJJHIWKCKOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-16(2)32-26-23(15-29-32)22(13-25(30-26)19-6-7-19)27(33)31-24-11-10-21(12-17(24)3)34-20-8-4-18(14-28)5-9-20/h4-5,8-13,15-16,19H,6-7H2,1-3H3,(H,31,33).

What are the key properties of N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyanophenoxy)-2-methylphenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60578349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).