2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C36H31F2N11O3 — CID 157052145

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCCC4)c3n2)c2ccc(F)cc21.Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C21H21FN6O.C15H10FN5O2/c1-21(7-3-4-8-21)26-20(29)14-10-23-19-18(14)25-15(11-24-19)17-13-6-5-12(22)9-16(13)28(2)27-17;1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,24)(H,26,29);2-6H,1H3,(H,17,18)(H,22,23)
InChIKeyAAIHGTDZEPRNGD-UHFFFAOYSA-N
MW703.71 g/mol
LogP6.06
Rot. Bonds5

About 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 157052145) has the molecular formula C36H31F2N11O3 and a molecular weight of 703.71 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID157052145
Molecular FormulaC36H31F2N11O3
Molecular Weight703.71 g/mol
Exact Mass703.26
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCCC4)c3n2)c2ccc(F)cc21.Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C21H21FN6O.C15H10FN5O2/c1-21(7-3-4-8-21)26-20(29)14-10-23-19-18(14)25-15(11-24-19)17-13-6-5-12(22)9-16(13)28(2)27-17;1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,24)(H,26,29);2-6H,1H3,(H,17,18)(H,22,23)
InChIKeyAAIHGTDZEPRNGD-UHFFFAOYSA-N
XLogP6.06
TPSA185.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.71
LogP ≤ 56.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

SSTR3 Antagonist 3A
CID 86279005
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
N-tert-butyl-2-(1-(3,4-dihydroxybutyl)-6-fluoro-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279543
2-(6-fluoro-1-piperidin-4-yl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71280067
2-(6-fluoro-1-methylindazol-3-yl)-N-(4-methylpiperidin-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280143
N-tert-butyl-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280272
2-[1-(3,4-dihydroxybutyl)-6-fluoroindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71718968
6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylic acid
CID 118710531
6-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylic acid
CID 118710532
2-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-4-carboxylic acid
CID 118710533
5-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710535
6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710536

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 157052145) is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCCC4)c3n2)c2ccc(F)cc21.Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is AAIHGTDZEPRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O.C15H10FN5O2/c1-21(7-3-4-8-21)26-20(29)14-10-23-19-18(14)25-15(11-24-19)17-13-6-5-12(22)9-16(13)28(2)27-17;1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,24)(H,26,29);2-6H,1H3,(H,17,18)(H,22,23).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 703.71 g/mol, XLogP of 6.06, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-methylcyclopentyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 157052145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).