3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine

C19H18Cl2FN5O — CID 86288092

IUPAC3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2cn3c(n2)CNCC3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H18Cl2FN5O/c1-10(17-12(20)2-3-13(22)18(17)21)28-15-6-11(7-25-19(15)23)14-9-27-5-4-24-8-16(27)26-14/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,23,25)/t10-/m1/s1
InChIKeyRJFCQXWNDRTXQY-SNVBAGLBSA-N
MW422.29 g/mol
LogP4.22
Rot. Bonds4

About 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine (PubChem CID 86288092) has the molecular formula C19H18Cl2FN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine
PubChem CID86288092
Molecular FormulaC19H18Cl2FN5O
Molecular Weight422.29 g/mol
Exact Mass421.09
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2cn3c(n2)CNCC3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H18Cl2FN5O/c1-10(17-12(20)2-3-13(22)18(17)21)28-15-6-11(7-25-19(15)23)14-9-27-5-4-24-8-16(27)26-14/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,23,25)/t10-/m1/s1
InChIKeyRJFCQXWNDRTXQY-SNVBAGLBSA-N
XLogP4.22
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine (CID 86288092) is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine is C[C@@H](Oc1cc(-c2cn3c(n2)CNCC3)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The InChIKey is RJFCQXWNDRTXQY-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18Cl2FN5O/c1-10(17-12(20)2-3-13(22)18(17)21)28-15-6-11(7-25-19(15)23)14-9-27-5-4-24-8-16(27)26-14/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,23,25)/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine has a molecular weight of 422.29 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 86288092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).