N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide

C25H25FN4O2 — CID 136860537

IUPACN-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide
SMILESCc1nc(C[C@H](NC(=O)CCn2c(C)cc3ccccc32)c2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C25H25FN4O2/c1-16-13-19-5-3-4-6-23(19)30(16)12-11-24(31)29-22(18-7-9-20(26)10-8-18)14-21-15-25(32)28-17(2)27-21/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m0/s1
InChIKeyBAANMILWTGHSFY-QFIPXVFZSA-N
MW432.50 g/mol
LogP3.97
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide

N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide (PubChem CID 136860537) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide
PubChem CID136860537
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide
SMILESCc1nc(C[C@H](NC(=O)CCn2c(C)cc3ccccc32)c2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C25H25FN4O2/c1-16-13-19-5-3-4-6-23(19)30(16)12-11-24(31)29-22(18-7-9-20(26)10-8-18)14-21-15-25(32)28-17(2)27-21/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m0/s1
InChIKeyBAANMILWTGHSFY-QFIPXVFZSA-N
XLogP3.97
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide (CID 136860537) is N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide is Cc1nc(C[C@H](NC(=O)CCn2c(C)cc3ccccc32)c2ccc(F)cc2)cc(=O)[nH]1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide?
The InChIKey is BAANMILWTGHSFY-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16-13-19-5-3-4-6-23(19)30(16)12-11-24(31)29-22(18-7-9-20(26)10-8-18)14-21-15-25(32)28-17(2)27-21/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,29,31)(H,27,28,32)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide?
N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide has a molecular weight of 432.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide is sourced from PubChem (CID 136860537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).