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

C26H27FN6O — CID 78324372

IUPAC4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C26H27FN6O/c1-31-10-12-32(13-11-31)19-6-7-21(25(15-19)34-2)23-17-29-26(28)16-22(23)24-8-9-30-33(24)20-5-3-4-18(27)14-20/h3-9,14-17H,10-13H2,1-2H3,(H2,28,29)
InChIKeyMDCCHLVDSVSRTG-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.08
Rot. Bonds5

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

4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (PubChem CID 78324372) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
PubChem CID78324372
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1
InChIInChI=1S/C26H27FN6O/c1-31-10-12-32(13-11-31)19-6-7-21(25(15-19)34-2)23-17-29-26(28)16-22(23)24-8-9-30-33(24)20-5-3-4-18(27)14-20/h3-9,14-17H,10-13H2,1-2H3,(H2,28,29)
InChIKeyMDCCHLVDSVSRTG-UHFFFAOYSA-N
XLogP4.08
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
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-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine (CID 78324372) is 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
The InChIKey is MDCCHLVDSVSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-31-10-12-32(13-11-31)19-6-7-21(25(15-19)34-2)23-17-29-26(28)16-22(23)24-8-9-30-33(24)20-5-3-4-18(27)14-20/h3-9,14-17H,10-13H2,1-2H3,(H2,28,29).
What are the key properties of 4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine?
4-[2-(3-fluorophenyl)pyrazol-3-yl]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine has a molecular weight of 458.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 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-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 78324372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).