1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine

C25H25F2N5 — CID 90281556

IUPAC1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine
SMILESNC1=Cc2ccc(-c3c(F)cccc3F)cc2N(c2cnccc2N2CCCC(N)C2)C1
InChIInChI=1S/C25H25F2N5/c26-20-4-1-5-21(27)25(20)17-7-6-16-11-19(29)15-32(23(16)12-17)24-13-30-9-8-22(24)31-10-2-3-18(28)14-31/h1,4-9,11-13,18H,2-3,10,14-15,28-29H2
InChIKeyJXLSVBHEZWOAFO-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.41
Rot. Bonds3

About 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine

1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine (PubChem CID 90281556) has the molecular formula C25H25F2N5 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine
PubChem CID90281556
Molecular FormulaC25H25F2N5
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine
SMILESNC1=Cc2ccc(-c3c(F)cccc3F)cc2N(c2cnccc2N2CCCC(N)C2)C1
InChIInChI=1S/C25H25F2N5/c26-20-4-1-5-21(27)25(20)17-7-6-16-11-19(29)15-32(23(16)12-17)24-13-30-9-8-22(24)31-10-2-3-18(28)14-31/h1,4-9,11-13,18H,2-3,10,14-15,28-29H2
InChIKeyJXLSVBHEZWOAFO-UHFFFAOYSA-N
XLogP4.41
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine with MolForge

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Related Compounds

(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
CID 141361205
2-[3-amino-2-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]-3-fluorobenzamide
CID 161025500
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838
1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
CID 161170313
1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine
CID 157468015
3-(3-aminopiperidin-1-yl)-N-methylpyridin-4-amine
CID 145468600
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 147999209
3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide
CID 141426409
(3S)-1-[6-[4-(2-fluorophenyl)pyrimidin-2-yl]quinolin-4-yl]piperidin-3-amine
CID 58387613
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine?
The IUPAC name of 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine (CID 90281556) is 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine.
What is the SMILES notation for 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine?
The canonical SMILES for 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine is NC1=Cc2ccc(-c3c(F)cccc3F)cc2N(c2cnccc2N2CCCC(N)C2)C1.
What is the InChIKey of 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine?
The InChIKey is JXLSVBHEZWOAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5/c26-20-4-1-5-21(27)25(20)17-7-6-16-11-19(29)15-32(23(16)12-17)24-13-30-9-8-22(24)31-10-2-3-18(28)14-31/h1,4-9,11-13,18H,2-3,10,14-15,28-29H2.
What are the key properties of 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine?
1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine has a molecular weight of 433.51 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine is sourced from PubChem (CID 90281556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).