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

C28H34N6O — CID 142165220

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

N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 142165220) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 142165220
• Molecular Formula: C28H34N6O
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.28
• IUPAC Name: N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• SMILES: CCC(C)Nc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)ccc1C(C)(C)CC
• InChI: InChI=1S/C28H34N6O/c1-6-18(3)31-25-16-21(12-13-23(25)28(4,5)7-2)33-27(35)22-9-8-14-29-26(22)32-20-11-10-19-17-30-34-24(19)15-20/h8-18,31H,6-7H2,1-5H3,(H,29,32)(H,30,34)(H,33,35)
• InChIKey: MVYWLHCHVRAKDQ-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 94.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 142165220) is N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is CCC(C)Nc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)ccc1C(C)(C)CC.

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

The InChIKey is MVYWLHCHVRAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-6-18(3)31-25-16-21(12-13-23(25)28(4,5)7-2)33-27(35)22-9-8-14-29-26(22)32-20-11-10-19-17-30-34-24(19)15-20/h8-18,31H,6-7H2,1-5H3,(H,29,32)(H,30,34)(H,33,35).

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

N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 6.85, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(butan-2-ylamino)-4-(2-methylbutan-2-yl)phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142165220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).