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

C25H25FN6O — CID 78324070

IUPAC4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C25H25FN6O/c1-33-24-14-18(31-11-9-28-10-12-31)5-6-20(24)22-16-29-25(27)15-21(22)23-7-8-30-32(23)19-4-2-3-17(26)13-19/h2-8,13-16,28H,9-12H2,1H3,(H2,27,29)
InChIKeyBVQGDXTYVPZWEL-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.74
Rot. Bonds5

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

4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 78324070) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID78324070
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C25H25FN6O/c1-33-24-14-18(31-11-9-28-10-12-31)5-6-20(24)22-16-29-25(27)15-21(22)23-7-8-30-32(23)19-4-2-3-17(26)13-19/h2-8,13-16,28H,9-12H2,1H3,(H2,27,29)
InChIKeyBVQGDXTYVPZWEL-UHFFFAOYSA-N
XLogP3.74
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (CID 78324070) is 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is BVQGDXTYVPZWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-33-24-14-18(31-11-9-28-10-12-31)5-6-20(24)22-16-29-25(27)15-21(22)23-7-8-30-32(23)19-4-2-3-17(26)13-19/h2-8,13-16,28H,9-12H2,1H3,(H2,27,29).
What are the key properties of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 444.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 78324070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).