N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H25FN6O3S — CID 71279423

IUPACN-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCS(C)(=O)=O)c4cc(F)ccc34)nc12
InChIInChI=1S/C22H25FN6O3S/c1-22(2,3)27-21(30)15-11-24-20-19(15)26-16(12-25-20)18-14-7-6-13(23)10-17(14)29(28-18)8-5-9-33(4,31)32/h6-7,10-12H,5,8-9H2,1-4H3,(H,24,25)(H,27,30)
InChIKeyRGIPZCBZGRZGDB-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.08
Rot. Bonds6

About N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279423) has the molecular formula C22H25FN6O3S and a molecular weight of 472.55 g/mol. Its IUPAC name is N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279423
Molecular FormulaC22H25FN6O3S
Molecular Weight472.55 g/mol
Exact Mass472.17
IUPAC NameN-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCS(C)(=O)=O)c4cc(F)ccc34)nc12
InChIInChI=1S/C22H25FN6O3S/c1-22(2,3)27-21(30)15-11-24-20-19(15)26-16(12-25-20)18-14-7-6-13(23)10-17(14)29(28-18)8-5-9-33(4,31)32/h6-7,10-12H,5,8-9H2,1-4H3,(H,24,25)(H,27,30)
InChIKeyRGIPZCBZGRZGDB-UHFFFAOYSA-N
XLogP3.08
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
US10774086, Example 5
CID 134551847
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
CID 146597342
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
CID 146646636
N-[4-(diethylaminomethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137653003
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
2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 44223692

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279423) is N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCS(C)(=O)=O)c4cc(F)ccc34)nc12.
What is the InChIKey of N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RGIPZCBZGRZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3S/c1-22(2,3)27-21(30)15-11-24-20-19(15)26-16(12-25-20)18-14-7-6-13(23)10-17(14)29(28-18)8-5-9-33(4,31)32/h6-7,10-12H,5,8-9H2,1-4H3,(H,24,25)(H,27,30).
What are the key properties of N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).