3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine

C19H13ClF2N4O — CID 21111074

IUPAC3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc3[nH]ccc3c2)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C19H13ClF2N4O/c20-17-12(13(21)2-3-14(17)22)9-27-19-18(23)25-8-16(26-19)10-1-4-15-11(7-10)5-6-24-15/h1-8,24H,9H2,(H2,23,25)
InChIKeyCYWZUDGGPWEFDR-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.72
Rot. Bonds4

About 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine

3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine (PubChem CID 21111074) has the molecular formula C19H13ClF2N4O and a molecular weight of 386.79 g/mol. Its IUPAC name is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine
PubChem CID21111074
Molecular FormulaC19H13ClF2N4O
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc3[nH]ccc3c2)nc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C19H13ClF2N4O/c20-17-12(13(21)2-3-14(17)22)9-27-19-18(23)25-8-16(26-19)10-1-4-15-11(7-10)5-6-24-15/h1-8,24H,9H2,(H2,23,25)
InChIKeyCYWZUDGGPWEFDR-UHFFFAOYSA-N
XLogP4.72
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine?
The IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine (CID 21111074) is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine?
The canonical SMILES for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine is Nc1ncc(-c2ccc3[nH]ccc3c2)nc1OCc1c(F)ccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine?
The InChIKey is CYWZUDGGPWEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O/c20-17-12(13(21)2-3-14(17)22)9-27-19-18(23)25-8-16(26-19)10-1-4-15-11(7-10)5-6-24-15/h1-8,24H,9H2,(H2,23,25).
What are the key properties of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine?
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine has a molecular weight of 386.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-(1H-indol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 21111074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).