N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H24N4O4S — CID 71208145

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOc5ccccc54)c3n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-15(2)34(31,32)17-9-7-16(8-10-17)21-14-27-24-23(28-21)19(13-26-24)25(30)29-20-11-12-33-22-6-4-3-5-18(20)22/h3-10,13-15,20H,11-12H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyBYFPKXWCJRYYBK-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.06
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208145) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208145
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOc5ccccc54)c3n2)cc1
InChIInChI=1S/C25H24N4O4S/c1-15(2)34(31,32)17-9-7-16(8-10-17)21-14-27-24-23(28-21)19(13-26-24)25(30)29-20-11-12-33-22-6-4-3-5-18(20)22/h3-10,13-15,20H,11-12H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyBYFPKXWCJRYYBK-UHFFFAOYSA-N
XLogP4.06
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208145) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCOc5ccccc54)c3n2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BYFPKXWCJRYYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-15(2)34(31,32)17-9-7-16(8-10-17)21-14-27-24-23(28-21)19(13-26-24)25(30)29-20-11-12-33-22-6-4-3-5-18(20)22/h3-10,13-15,20H,11-12H2,1-2H3,(H,26,27)(H,29,30).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).