N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide

C30H38N6O2 — CID 66689788

IUPACN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN(C)CC2)c1=O
InChIInChI=1S/C30H38N6O2/c1-21-9-10-24(29(37)32-25-11-12-25)19-26(21)36-14-13-31-28(30(36)38)33-27(23-7-5-4-6-8-23)22(2)20-35-17-15-34(3)16-18-35/h4-10,13-14,19,22,25,27H,11-12,15-18,20H2,1-3H3,(H,31,33)(H,32,37)/t22-,27+/m0/s1
InChIKeyWXFFVQOOXCIGAC-WXVAWEFUSA-N
MW514.67 g/mol
LogP3.47
Rot. Bonds9

About N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide

N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide (PubChem CID 66689788) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
PubChem CID66689788
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC NameN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN(C)CC2)c1=O
InChIInChI=1S/C30H38N6O2/c1-21-9-10-24(29(37)32-25-11-12-25)19-26(21)36-14-13-31-28(30(36)38)33-27(23-7-5-4-6-8-23)22(2)20-35-17-15-34(3)16-18-35/h4-10,13-14,19,22,25,27H,11-12,15-18,20H2,1-3H3,(H,31,33)(H,32,37)/t22-,27+/m0/s1
InChIKeyWXFFVQOOXCIGAC-WXVAWEFUSA-N
XLogP3.47
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide 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-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide (CID 66689788) is N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCN(C)CC2)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The InChIKey is WXFFVQOOXCIGAC-WXVAWEFUSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-21-9-10-24(29(37)32-25-11-12-25)19-26(21)36-14-13-31-28(30(36)38)33-27(23-7-5-4-6-8-23)22(2)20-35-17-15-34(3)16-18-35/h4-10,13-14,19,22,25,27H,11-12,15-18,20H2,1-3H3,(H,31,33)(H,32,37)/t22-,27+/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide has a molecular weight of 514.67 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-3-(4-methylpiperazin-1-yl)-1-phenylpropyl]amino]-2-oxopyrazin-1-yl]benzamide is sourced from PubChem (CID 66689788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).