N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine

C23H15F2N5 — CID 164615827

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5cn[nH]c5)ccc34)ccn2)c1
InChIInChI=1S/C23H15F2N5/c24-16-2-4-20(25)19(10-16)23-11-17(5-7-26-23)30-21-6-8-27-22-9-14(1-3-18(21)22)15-12-28-29-13-15/h1-13H,(H,28,29)(H,26,27,30)
InChIKeyKVKTYAJUFWKSFM-UHFFFAOYSA-N
MW399.40 g/mol
LogP5.71
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine (PubChem CID 164615827) has the molecular formula C23H15F2N5 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine
PubChem CID164615827
Molecular FormulaC23H15F2N5
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5cn[nH]c5)ccc34)ccn2)c1
InChIInChI=1S/C23H15F2N5/c24-16-2-4-20(25)19(10-16)23-11-17(5-7-26-23)30-21-6-8-27-22-9-14(1-3-18(21)22)15-12-28-29-13-15/h1-13H,(H,28,29)(H,26,27,30)
InChIKeyKVKTYAJUFWKSFM-UHFFFAOYSA-N
XLogP5.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine (CID 164615827) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine is Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5cn[nH]c5)ccc34)ccn2)c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine?
The InChIKey is KVKTYAJUFWKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5/c24-16-2-4-20(25)19(10-16)23-11-17(5-7-26-23)30-21-6-8-27-22-9-14(1-3-18(21)22)15-12-28-29-13-15/h1-13H,(H,28,29)(H,26,27,30).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine has a molecular weight of 399.40 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1H-pyrazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 164615827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).