2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen

C27H33N7O — CID 162164797

About 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen

2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 162164797) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 162164797
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CN1CCN(CCCc2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc2)CC1.[H][H]
• InChI: InChI=1S/C27H31N7O.H2/c1-33-14-16-34(17-15-33)13-3-4-20-6-9-22(10-7-20)31-27(35)24-5-2-12-28-26(24)30-23-11-8-21-19-29-32-25(21)18-23;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,28,30)(H,29,32)(H,31,35);1H
• InChIKey: ZMZAHLOQHGGNNY-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 89.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen (CID 162164797) is 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen is CN1CCN(CCCc2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc2)CC1.[H][H].

What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is ZMZAHLOQHGGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O.H2/c1-33-14-16-34(17-15-33)13-3-4-20-6-9-22(10-7-20)31-27(35)24-5-2-12-28-26(24)30-23-11-8-21-19-29-32-25(21)18-23;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,28,30)(H,29,32)(H,31,35);1H.

What are the key properties of 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen?

2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 471.61 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 162164797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).