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

C20H20FN7O — CID 71279563

IUPACN-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O/c1-20(6-11(22)7-20)26-19(29)13-8-23-18-17(13)25-14(9-24-18)16-12-4-3-10(21)5-15(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyBUMHWUDGGPIPAG-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.26
Rot. Bonds3

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

N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279563) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279563
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O/c1-20(6-11(22)7-20)26-19(29)13-8-23-18-17(13)25-14(9-24-18)16-12-4-3-10(21)5-15(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyBUMHWUDGGPIPAG-UHFFFAOYSA-N
XLogP2.26
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279563) is N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21.
What is the InChIKey of N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BUMHWUDGGPIPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-20(6-11(22)7-20)26-19(29)13-8-23-18-17(13)25-14(9-24-18)16-12-4-3-10(21)5-15(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29).
What are the key properties of N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).