N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine

C26H19F2N5 — CID 142232809

IUPACN-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFc1ccc(-c2ccc(-n3ncc(CNc4cccnc4)c3-c3ccccc3F)cn2)cc1
InChIInChI=1S/C26H19F2N5/c27-20-9-7-18(8-10-20)25-12-11-22(17-31-25)33-26(23-5-1-2-6-24(23)28)19(15-32-33)14-30-21-4-3-13-29-16-21/h1-13,15-17,30H,14H2
InChIKeyCMSWPEXZSYLGHM-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.89
Rot. Bonds6

About N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine

N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine (PubChem CID 142232809) has the molecular formula C26H19F2N5 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine
PubChem CID142232809
Molecular FormulaC26H19F2N5
Molecular Weight439.47 g/mol
Exact Mass439.16
IUPAC NameN-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFc1ccc(-c2ccc(-n3ncc(CNc4cccnc4)c3-c3ccccc3F)cn2)cc1
InChIInChI=1S/C26H19F2N5/c27-20-9-7-18(8-10-20)25-12-11-22(17-31-25)33-26(23-5-1-2-6-24(23)28)19(15-32-33)14-30-21-4-3-13-29-16-21/h1-13,15-17,30H,14H2
InChIKeyCMSWPEXZSYLGHM-UHFFFAOYSA-N
XLogP5.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine (CID 142232809) is N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine is Fc1ccc(-c2ccc(-n3ncc(CNc4cccnc4)c3-c3ccccc3F)cn2)cc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine?
The InChIKey is CMSWPEXZSYLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5/c27-20-9-7-18(8-10-20)25-12-11-22(17-31-25)33-26(23-5-1-2-6-24(23)28)19(15-32-33)14-30-21-4-3-13-29-16-21/h1-13,15-17,30H,14H2.
What are the key properties of N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine?
N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine has a molecular weight of 439.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 142232809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).