N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine

C20H16F2N6 — CID 67959771

IUPACN-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CNC4)n3)c2c1
InChIInChI=1S/C20H16F2N6/c21-14-2-1-3-15(22)19(14)11-4-5-16-13(6-11)20(28-27-16)17-9-24-10-18(26-17)25-12-7-23-8-12/h1-6,9-10,12,23H,7-8H2,(H,25,26)(H,27,28)
InChIKeyDAJUQGQQWWXBPE-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.35
Rot. Bonds4

About N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine

N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine (PubChem CID 67959771) has the molecular formula C20H16F2N6 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine
PubChem CID67959771
Molecular FormulaC20H16F2N6
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CNC4)n3)c2c1
InChIInChI=1S/C20H16F2N6/c21-14-2-1-3-15(22)19(14)11-4-5-16-13(6-11)20(28-27-16)17-9-24-10-18(26-17)25-12-7-23-8-12/h1-6,9-10,12,23H,7-8H2,(H,25,26)(H,27,28)
InChIKeyDAJUQGQQWWXBPE-UHFFFAOYSA-N
XLogP3.35
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine (CID 67959771) is N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine is Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CNC4)n3)c2c1.
What is the InChIKey of N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine?
The InChIKey is DAJUQGQQWWXBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6/c21-14-2-1-3-15(22)19(14)11-4-5-16-13(6-11)20(28-27-16)17-9-24-10-18(26-17)25-12-7-23-8-12/h1-6,9-10,12,23H,7-8H2,(H,25,26)(H,27,28).
What are the key properties of N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine?
N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine has a molecular weight of 378.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 67959771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).