6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride

C25H26ClFN6O — CID 174770617

IUPAC6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride
SMILESCOc1cc(N2CCNCC2)ccc1-c1ccc(N)nc1-c1ccnn1-c1cccc(F)c1.Cl
InChIInChI=1S/C25H25FN6O.ClH/c1-33-23-16-18(31-13-11-28-12-14-31)5-6-20(23)21-7-8-24(27)30-25(21)22-9-10-29-32(22)19-4-2-3-17(26)15-19;/h2-10,15-16,28H,11-14H2,1H3,(H2,27,30);1H
InChIKeyPYKDICJQVCSGEV-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.16
Rot. Bonds5

About 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride

6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride (PubChem CID 174770617) has the molecular formula C25H26ClFN6O and a molecular weight of 480.98 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride
PubChem CID174770617
Molecular FormulaC25H26ClFN6O
Molecular Weight480.98 g/mol
Exact Mass480.18
IUPAC Name6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride
SMILESCOc1cc(N2CCNCC2)ccc1-c1ccc(N)nc1-c1ccnn1-c1cccc(F)c1.Cl
InChIInChI=1S/C25H25FN6O.ClH/c1-33-23-16-18(31-13-11-28-12-14-31)5-6-20(23)21-7-8-24(27)30-25(21)22-9-10-29-32(22)19-4-2-3-17(26)15-19;/h2-10,15-16,28H,11-14H2,1H3,(H2,27,30);1H
InChIKeyPYKDICJQVCSGEV-UHFFFAOYSA-N
XLogP4.16
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride (CID 174770617) is 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride is COc1cc(N2CCNCC2)ccc1-c1ccc(N)nc1-c1ccnn1-c1cccc(F)c1.Cl.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride?
The InChIKey is PYKDICJQVCSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.ClH/c1-33-23-16-18(31-13-11-28-12-14-31)5-6-20(23)21-7-8-24(27)30-25(21)22-9-10-29-32(22)19-4-2-3-17(26)15-19;/h2-10,15-16,28H,11-14H2,1H3,(H2,27,30);1H.
What are the key properties of 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride?
6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride has a molecular weight of 480.98 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 174770617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).