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

C20H21FN6O — CID 71285672

IUPACN-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NCC(C)(C)C)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H21FN6O/c1-20(2,3)10-24-19(28)13-8-22-18-17(13)25-14(9-23-18)16-12-6-5-11(21)7-15(12)27(4)26-16/h5-9H,10H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyYJBRNGFQYIARML-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.43
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285672) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285672
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NCC(C)(C)C)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H21FN6O/c1-20(2,3)10-24-19(28)13-8-22-18-17(13)25-14(9-23-18)16-12-6-5-11(21)7-15(12)27(4)26-16/h5-9H,10H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyYJBRNGFQYIARML-UHFFFAOYSA-N
XLogP3.43
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285672) is N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NCC(C)(C)C)c3n2)c2ccc(F)cc21.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YJBRNGFQYIARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-20(2,3)10-24-19(28)13-8-22-18-17(13)25-14(9-23-18)16-12-6-5-11(21)7-15(12)27(4)26-16/h5-9H,10H2,1-4H3,(H,22,23)(H,24,28).
What are the key properties of N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).