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

C25H33N5O — CID 166025385

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

(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 166025385) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• PubChem CID: 166025385
• Molecular Formula: C25H33N5O
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.27
• IUPAC Name: (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
• SMILES: Cc1c(C[C@@H](CNC(=O)C[C@@H](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)/t20-,22-/m0/s1
• InChIKey: YKIRUKULAYRABF-UNMCSNQZSA-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 (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?

The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 166025385) is (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

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

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

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

The InChIKey is YKIRUKULAYRABF-UNMCSNQZSA-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)/t20-,22-/m0/s1.

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

(3R)-N-[(2S)-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 (3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 166025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).