3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide

C32H43N7O2 — CID 118227014

About 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide

3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 118227014) has the molecular formula C32H43N7O2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 118227014
• Molecular Formula: C32H43N7O2
• Molecular Weight: 557.74 g/mol
• Exact Mass: 557.35
• IUPAC Name: 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnc(N3CCN(C)CC3)nc2)c2c(c1C)C(N(C)C)CC2
• InChI: InChI=1S/C32H43N7O2/c1-7-8-22-15-20(2)36-31(41)27(22)19-33-30(40)25-16-26(24-9-10-28(37(4)5)29(24)21(25)3)23-17-34-32(35-18-23)39-13-11-38(6)12-14-39/h15-18,28H,7-14,19H2,1-6H3,(H,33,40)(H,36,41)
• InChIKey: HQDBDESTWJGIEP-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 97.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.74
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 118227014) is 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cnc(N3CCN(C)CC3)nc2)c2c(c1C)C(N(C)C)CC2.

What is the InChIKey of 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is HQDBDESTWJGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O2/c1-7-8-22-15-20(2)36-31(41)27(22)19-33-30(40)25-16-26(24-9-10-28(37(4)5)29(24)21(25)3)23-17-34-32(35-18-23)39-13-11-38(6)12-14-39/h15-18,28H,7-14,19H2,1-6H3,(H,33,40)(H,36,41).

What are the key properties of 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide?

3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 118227014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).