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

C24H17F2N5 — CID 164610592

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine
SMILESCn1cc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1
InChIInChI=1S/C24H17F2N5/c1-31-14-16(13-29-31)15-2-4-19-22(7-9-28-23(19)10-15)30-18-6-8-27-24(12-18)20-11-17(25)3-5-21(20)26/h2-14H,1H3,(H,27,28,30)
InChIKeyBNLMVYWBJPOVSI-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.72
Rot. Bonds4

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

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine (PubChem CID 164610592) has the molecular formula C24H17F2N5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine
PubChem CID164610592
Molecular FormulaC24H17F2N5
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine
SMILESCn1cc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1
InChIInChI=1S/C24H17F2N5/c1-31-14-16(13-29-31)15-2-4-19-22(7-9-28-23(19)10-15)30-18-6-8-27-24(12-18)20-11-17(25)3-5-21(20)26/h2-14H,1H3,(H,27,28,30)
InChIKeyBNLMVYWBJPOVSI-UHFFFAOYSA-N
XLogP5.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine (CID 164610592) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine is Cn1cc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cn1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine?
The InChIKey is BNLMVYWBJPOVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5/c1-31-14-16(13-29-31)15-2-4-19-22(7-9-28-23(19)10-15)30-18-6-8-27-24(12-18)20-11-17(25)3-5-21(20)26/h2-14H,1H3,(H,27,28,30).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine has a molecular weight of 413.43 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(1-methylpyrazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 164610592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).