(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide

C23H27F2N5O — CID 167562783

About (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide

(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide (PubChem CID 167562783) has the molecular formula C23H27F2N5O and a molecular weight of 427.50 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
• PubChem CID: 167562783
• Molecular Formula: C23H27F2N5O
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.22
• IUPAC Name: (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
• SMILES: CC(F)(F)C1([C@@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1
• InChI: InChI=1S/C23H27F2N5O/c1-22(24,25)23(6-7-23)19(16-3-2-8-27-12-16)11-21(31)28-14-18(26)10-15-4-5-20-17(9-15)13-29-30-20/h2-5,8-9,12-13,18-19H,6-7,10-11,14,26H2,1H3,(H,28,31)(H,29,30)/t18-,19-/m0/s1
• InChIKey: SJWVFBXYSZTKLT-OALUTQOASA-N
• XLogP: 3.55
• TPSA: 96.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?

The IUPAC name of (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide (CID 167562783) is (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide.

What is the SMILES notation for (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?

The canonical SMILES for (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide is CC(F)(F)C1([C@@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.

What is the InChIKey of (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?

The InChIKey is SJWVFBXYSZTKLT-OALUTQOASA-N. The full InChI is InChI=1S/C23H27F2N5O/c1-22(24,25)23(6-7-23)19(16-3-2-8-27-12-16)11-21(31)28-14-18(26)10-15-4-5-20-17(9-15)13-29-30-20/h2-5,8-9,12-13,18-19H,6-7,10-11,14,26H2,1H3,(H,28,31)(H,29,30)/t18-,19-/m0/s1.

What are the key properties of (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide?

(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide has a molecular weight of 427.50 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167562783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).