N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H21N5O3S — CID 73295614

IUPACN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyOZGPACKEDNQGSG-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.63
Rot. Bonds4

About N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295614) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295614
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyOZGPACKEDNQGSG-UHFFFAOYSA-N
XLogP2.63
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
US10774086, Example 5
CID 134551847
2-thiophen-2-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid [2-(4-ethanesulfonylamino-phenyl)-ethyl]-amide
CID 24782785
2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24783299
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784075
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784579
N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinecarboxamide
CID 25226483
2,6-difluoro-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230849
2,6-difluoro-N-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
CID 44230852
2,6-difluoro-N-(2-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230986

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295614) is N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OZGPACKEDNQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).