N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

C25H33N5O — CID 174189165

About N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 174189165) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• PubChem CID: 174189165
• Molecular Formula: C25H33N5O
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.27
• IUPAC Name: N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• SMILES: Cc1c(CC(CNC(=O)CC(c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12
• InChI: InChI=1S/C25H33N5O/c1-17-18(7-8-23-21(17)16-28-29-23)12-20(30(3)4)15-27-24(31)13-22(25(2)9-10-25)19-6-5-11-26-14-19/h5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,27,31)(H,28,29)
• InChIKey: YKIRUKULAYRABF-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The IUPAC name of N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 174189165) is N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

What is the SMILES notation for N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The canonical SMILES for N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is Cc1c(CC(CNC(=O)CC(c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12.

What is the InChIKey of N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The InChIKey is YKIRUKULAYRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-17-18(7-8-23-21(17)16-28-29-23)12-20(30(3)4)15-27-24(31)13-22(25(2)9-10-25)19-6-5-11-26-14-19/h5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,27,31)(H,28,29).

What are the key properties of N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 419.57 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 174189165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).