(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide

C24H30N4O — CID 166025522

IUPAC(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C24H30N4O/c1-28(2)21(13-17-8-11-23-20(12-17)15-26-27-23)16-25-24(29)14-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,15,19,21-22H,9-10,13-14,16H2,1-2H3,(H,25,29)(H,26,27)/t21-,22+/m0/s1
InChIKeyOOPOIDMCYZNQRJ-FCHUYYIVSA-N
MW390.53 g/mol
LogP3.74
Rot. Bonds9

About (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide

(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide (PubChem CID 166025522) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide
PubChem CID166025522
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C24H30N4O/c1-28(2)21(13-17-8-11-23-20(12-17)15-26-27-23)16-25-24(29)14-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,15,19,21-22H,9-10,13-14,16H2,1-2H3,(H,25,29)(H,26,27)/t21-,22+/m0/s1
InChIKeyOOPOIDMCYZNQRJ-FCHUYYIVSA-N
XLogP3.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide (CID 166025522) is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide is CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc2[nH]ncc2c1.
What is the InChIKey of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide?
The InChIKey is OOPOIDMCYZNQRJ-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H30N4O/c1-28(2)21(13-17-8-11-23-20(12-17)15-26-27-23)16-25-24(29)14-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,15,19,21-22H,9-10,13-14,16H2,1-2H3,(H,25,29)(H,26,27)/t21-,22+/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide?
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 166025522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).