N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine

C18H21FN6 — CID 167867635

IUPACN-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cnc(-c2cc(F)c3nn(C)cc3c2)cn1)C1CCNC1
InChIInChI=1S/C18H21FN6/c1-24(15-3-4-20-8-15)11-14-7-22-17(9-21-14)12-5-13-10-25(2)23-18(13)16(19)6-12/h5-7,9-10,15,20H,3-4,8,11H2,1-2H3
InChIKeyPLYWLFDIWWROSF-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.96
Rot. Bonds4

About N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine

N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine (PubChem CID 167867635) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine
PubChem CID167867635
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC NameN-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cnc(-c2cc(F)c3nn(C)cc3c2)cn1)C1CCNC1
InChIInChI=1S/C18H21FN6/c1-24(15-3-4-20-8-15)11-14-7-22-17(9-21-14)12-5-13-10-25(2)23-18(13)16(19)6-12/h5-7,9-10,15,20H,3-4,8,11H2,1-2H3
InChIKeyPLYWLFDIWWROSF-UHFFFAOYSA-N
XLogP1.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine (CID 167867635) is N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine is CN(Cc1cnc(-c2cc(F)c3nn(C)cc3c2)cn1)C1CCNC1.
What is the InChIKey of N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is PLYWLFDIWWROSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-24(15-3-4-20-8-15)11-14-7-22-17(9-21-14)12-5-13-10-25(2)23-18(13)16(19)6-12/h5-7,9-10,15,20H,3-4,8,11H2,1-2H3.
What are the key properties of N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine?
N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 340.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-fluoro-2-methylindazol-5-yl)pyrazin-2-yl]methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 167867635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).