N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H28N4O4S — CID 118281076

IUPACN-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C26H28N4O4S/c1-15(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-23(30-22)21(13-27-25)26(32)29-17(4)24(31)19-7-5-16(3)6-8-19/h5-15,17,24,31H,1-4H3,(H,27,28)(H,29,32)/t17-,24-/m0/s1
InChIKeyPVOUCTRPLXCLGB-XDHUDOTRSA-N
MW492.60 g/mol
LogP3.97
Rot. Bonds7

About N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118281076) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118281076
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C26H28N4O4S/c1-15(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-23(30-22)21(13-27-25)26(32)29-17(4)24(31)19-7-5-16(3)6-8-19/h5-15,17,24,31H,1-4H3,(H,27,28)(H,29,32)/t17-,24-/m0/s1
InChIKeyPVOUCTRPLXCLGB-XDHUDOTRSA-N
XLogP3.97
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 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-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118281076) is N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is PVOUCTRPLXCLGB-XDHUDOTRSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-15(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-23(30-22)21(13-27-25)26(32)29-17(4)24(31)19-7-5-16(3)6-8-19/h5-15,17,24,31H,1-4H3,(H,27,28)(H,29,32)/t17-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118281076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).