3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine

C24H25Cl2FN4O2 — CID 78321240

IUPAC3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1
InChIInChI=1S/C24H25Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
InChIKeyKCBSBPKMIGPLLQ-CYBMUJFWSA-N
MW491.39 g/mol
LogP5.79
Rot. Bonds6

About 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine (PubChem CID 78321240) has the molecular formula C24H25Cl2FN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine
PubChem CID78321240
Molecular FormulaC24H25Cl2FN4O2
Molecular Weight491.39 g/mol
Exact Mass490.13
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1
InChIInChI=1S/C24H25Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
InChIKeyKCBSBPKMIGPLLQ-CYBMUJFWSA-N
XLogP5.79
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine (CID 78321240) is 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine is COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1.
What is the InChIKey of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine?
The InChIKey is KCBSBPKMIGPLLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31)/t13-/m1/s1.
What are the key properties of 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine?
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine has a molecular weight of 491.39 g/mol, XLogP of 5.79, 6 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-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 78321240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).