N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

C28H32N6O2 — CID 146274636

IUPACN-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCOCCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1
InChIInChI=1S/C28H32N6O2/c1-32-12-14-34(15-13-32)23-10-8-21(9-11-23)25-19-30-27-26(31-25)24(18-29-27)20-4-6-22(7-5-20)28(35)33(2)16-17-36-3/h4-11,18-19H,12-17H2,1-3H3,(H,29,30)
InChIKeyRQWHDQVBKWCXHM-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.76
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 146274636) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
PubChem CID146274636
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCOCCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1
InChIInChI=1S/C28H32N6O2/c1-32-12-14-34(15-13-32)23-10-8-21(9-11-23)25-19-30-27-26(31-25)24(18-29-27)20-4-6-22(7-5-20)28(35)33(2)16-17-36-3/h4-11,18-19H,12-17H2,1-3H3,(H,29,30)
InChIKeyRQWHDQVBKWCXHM-UHFFFAOYSA-N
XLogP3.76
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-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-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (CID 146274636) is N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is COCCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)nc23)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The InChIKey is RQWHDQVBKWCXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-32-12-14-34(15-13-32)23-10-8-21(9-11-23)25-19-30-27-26(31-25)24(18-29-27)20-4-6-22(7-5-20)28(35)33(2)16-17-36-3/h4-11,18-19H,12-17H2,1-3H3,(H,29,30).
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 146274636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).