2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

C30H29N5O2 — CID 162125401

IUPAC2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1-c1cnc(CCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cnccc2[nH]1
InChIInChI=1S/C30H29N5O2/c1-21-8-5-6-12-25(21)28-19-32-27(13-7-11-22-9-3-2-4-10-22)30(37)35(28)20-29(36)33-18-24-16-23-17-31-15-14-26(23)34-24/h2-6,8-10,12,14-17,19,34H,7,11,13,18,20H2,1H3,(H,33,36)
InChIKeyZHYKXLLUJCSOEJ-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.59
Rot. Bonds9

About 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (PubChem CID 162125401) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
PubChem CID162125401
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1-c1cnc(CCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cnccc2[nH]1
InChIInChI=1S/C30H29N5O2/c1-21-8-5-6-12-25(21)28-19-32-27(13-7-11-22-9-3-2-4-10-22)30(37)35(28)20-29(36)33-18-24-16-23-17-31-15-14-26(23)34-24/h2-6,8-10,12,14-17,19,34H,7,11,13,18,20H2,1H3,(H,33,36)
InChIKeyZHYKXLLUJCSOEJ-UHFFFAOYSA-N
XLogP4.59
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-fluorophenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 161167618
2-[6-[1-(azetidin-3-yl)pyrazol-4-yl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158927605
2-[3-(5-methoxypentyl)-2-oxo-6-phenylpyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158848182
N-[[3-[6-oxo-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]-5-(3-phenylpropyl)pyrazin-2-yl]phenyl]methyl]methanesulfonamide
CID 160778903
2-[3-[2-[1-(3-chlorophenyl)cyclopropyl]ethyl]-2-oxo-6-phenylpyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158925148
2-[2-[4-(oxetan-3-yloxy)phenyl]-6-oxo-5-(3-phenylpropylamino)pyrimidin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 175993486
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid;2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide;1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine
CID 159752401
2-[2-[4-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]phenyl]-6-oxo-5-(3-phenylpropylamino)pyrimidin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 175993416
2-[2-[4-(N-cyano-S-methylsulfonimidoyl)phenyl]-6-oxo-5-(3-phenylpropylamino)pyrimidin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 175993512
3-(4-methoxybutyl)-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]-6-phenylpyrazin-2-one
CID 162240811
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
CID 157431100
2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 176846252

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (CID 162125401) is 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is Cc1ccccc1-c1cnc(CCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cnccc2[nH]1.
What is the InChIKey of 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?
The InChIKey is ZHYKXLLUJCSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-21-8-5-6-12-25(21)28-19-32-27(13-7-11-22-9-3-2-4-10-22)30(37)35(28)20-29(36)33-18-24-16-23-17-31-15-14-26(23)34-24/h2-6,8-10,12,14-17,19,34H,7,11,13,18,20H2,1H3,(H,33,36).
What are the key properties of 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?
2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide has a molecular weight of 491.60 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 162125401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).