[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate

C20H20FN7O2 — CID 126597509

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CCNC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-20(5-6-22-10-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-11(21)7-14(12)28(2)27-16/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyXTYSGFLJTFMMAF-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.49
Rot. Bonds3

About [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate (PubChem CID 126597509) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate
PubChem CID126597509
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CCNC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-20(5-6-22-10-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-11(21)7-14(12)28(2)27-16/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyXTYSGFLJTFMMAF-UHFFFAOYSA-N
XLogP2.49
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate (CID 126597509) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate is Cn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CCNC4)c3n2)c2ccc(F)cc21.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate?
The InChIKey is XTYSGFLJTFMMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-20(5-6-22-10-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-11(21)7-14(12)28(2)27-16/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,24)(H,26,29).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate has a molecular weight of 409.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 126597509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).