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

C20H20Cl2FN5O — CID 44560358

IUPAC3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26)
InChIKeySZSQAKDNRSCZOY-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.48
Rot. Bonds5

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

3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 44560358) has the molecular formula C20H20Cl2FN5O and a molecular weight of 436.32 g/mol. Its IUPAC name is 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID44560358
Molecular FormulaC20H20Cl2FN5O
Molecular Weight436.32 g/mol
Exact Mass435.10
IUPAC Name3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26)
InChIKeySZSQAKDNRSCZOY-UHFFFAOYSA-N
XLogP4.48
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 44560358) is 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is SZSQAKDNRSCZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26).
What are the key properties of 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 436.32 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloro-3-fluorophenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 44560358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).