N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide

C32H30N8O3 — CID 137154799

About N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide

N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 137154799) has the molecular formula C32H30N8O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 137154799
• Molecular Formula: C32H30N8O3
• Molecular Weight: 574.65 g/mol
• Exact Mass: 574.24
• IUPAC Name: N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide
• SMILES: COc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4n[nH]cc4c3)c2cc1OCCN(C)C
• InChI: InChI=1S/C32H30N8O3/c1-40(2)12-13-43-29-16-25-27(17-28(29)42-3)37-30(38-31(25)35-24-9-10-26-22(15-24)19-34-39-26)20-6-4-8-23(14-20)36-32(41)21-7-5-11-33-18-21/h4-11,14-19H,12-13H2,1-3H3,(H,34,39)(H,36,41)(H,35,37,38)
• InChIKey: JIIRSFCNUVXFCS-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 130.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.65
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide (CID 137154799) is N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide is COc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4n[nH]cc4c3)c2cc1OCCN(C)C.

What is the InChIKey of N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is JIIRSFCNUVXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O3/c1-40(2)12-13-43-29-16-25-27(17-28(29)42-3)37-30(38-31(25)35-24-9-10-26-22(15-24)19-34-39-26)20-6-4-8-23(14-20)36-32(41)21-7-5-11-33-18-21/h4-11,14-19H,12-13H2,1-3H3,(H,34,39)(H,36,41)(H,35,37,38).

What are the key properties of N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide?

N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 574.65 g/mol, XLogP of 5.51, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(dimethylamino)ethoxy]-4-(2H-indazol-5-ylamino)-7-methoxyquinazolin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 137154799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).