3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine

C19H18Cl2FN5O — CID 123306636

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cc3n(n2)CCNC3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H18Cl2FN5O/c1-10(17-13(20)2-3-14(22)18(17)21)28-16-6-11(8-25-19(16)23)15-7-12-9-24-4-5-27(12)26-15/h2-3,6-8,10,24H,4-5,9H2,1H3,(H2,23,25)
InChIKeyORTZNZOYNGEHRB-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.22
Rot. Bonds4

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine (PubChem CID 123306636) has the molecular formula C19H18Cl2FN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine
PubChem CID123306636
Molecular FormulaC19H18Cl2FN5O
Molecular Weight422.29 g/mol
Exact Mass421.09
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cc3n(n2)CCNC3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H18Cl2FN5O/c1-10(17-13(20)2-3-14(22)18(17)21)28-16-6-11(8-25-19(16)23)15-7-12-9-24-4-5-27(12)26-15/h2-3,6-8,10,24H,4-5,9H2,1H3,(H2,23,25)
InChIKeyORTZNZOYNGEHRB-UHFFFAOYSA-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'}

Analyze 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(2-piperazin-1-ylpyrimidin-5-yl)pyridin-2-amine
CID 58688098
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78321237
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine
CID 11719356
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-methoxyphenyl]-piperazin-1-ylmethanone
CID 58688179
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
CID 21110873
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 58688166
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2,2,4,6,6-pentadeuterio(2,6-13C2)azinan-4-yl)pyrazol-3-yl]pyridin-2-amine
CID 76973938
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 21110887
2-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859794
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine (CID 123306636) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine is CC(Oc1cc(-c2cc3n(n2)CCNC3)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine?
The InChIKey is ORTZNZOYNGEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN5O/c1-10(17-13(20)2-3-14(22)18(17)21)28-16-6-11(8-25-19(16)23)15-7-12-9-24-4-5-27(12)26-15/h2-3,6-8,10,24H,4-5,9H2,1H3,(H2,23,25).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-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-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 123306636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).