2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide

C28H32N6O — CID 10298783

About 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10298783) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 10298783
• Molecular Formula: C28H32N6O
• Molecular Weight: 468.61 g/mol
• Exact Mass: 468.26
• IUPAC Name: 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
• SMILES: CN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc2)CC1
• InChI: InChI=1S/C28H32N6O/c1-28(2,21-12-15-34(3)16-13-21)20-7-10-22(11-8-20)32-27(35)24-5-4-14-29-26(24)31-23-9-6-19-18-30-33-25(19)17-23/h4-11,14,17-18,21H,12-13,15-16H2,1-3H3,(H,29,31)(H,30,33)(H,32,35)
• InChIKey: NGAZKBWMBHINPO-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.61
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide (CID 10298783) is 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide is CN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc2)CC1.

What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is NGAZKBWMBHINPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-28(2,21-12-15-34(3)16-13-21)20-7-10-22(11-8-20)32-27(35)24-5-4-14-29-26(24)31-23-9-6-19-18-30-33-25(19)17-23/h4-11,14,17-18,21H,12-13,15-16H2,1-3H3,(H,29,31)(H,30,33)(H,32,35).

What are the key properties of 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide?

2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).