(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide

C26H33F2N5O — CID 167572201

About (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide (PubChem CID 167572201) has the molecular formula C26H33F2N5O and a molecular weight of 469.58 g/mol. Its IUPAC name is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide
• PubChem CID: 167572201
• Molecular Formula: C26H33F2N5O
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.27
• IUPAC Name: (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide
• SMILES: Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)ccn1
• InChI: InChI=1S/C26H33F2N5O/c1-17-11-19(7-10-29-17)22(26(8-9-26)25(2,27)28)14-24(34)30-16-21(33(3)4)13-18-5-6-23-20(12-18)15-31-32-23/h5-7,10-12,15,21-22H,8-9,13-14,16H2,1-4H3,(H,30,34)(H,31,32)/t21-,22+/m0/s1
• InChIKey: YNNGPORLAUHKHS-FCHUYYIVSA-N
• XLogP: 4.46
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide?

The IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide (CID 167572201) is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide.

What is the SMILES notation for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide?

The canonical SMILES for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide is Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)ccn1.

What is the InChIKey of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide?

The InChIKey is YNNGPORLAUHKHS-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H33F2N5O/c1-17-11-19(7-10-29-17)22(26(8-9-26)25(2,27)28)14-24(34)30-16-21(33(3)4)13-18-5-6-23-20(12-18)15-31-32-23/h5-7,10-12,15,21-22H,8-9,13-14,16H2,1-4H3,(H,30,34)(H,31,32)/t21-,22+/m0/s1.

What are the key properties of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide?

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide has a molecular weight of 469.58 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 167572201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).