2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile

C25H20F2N6O — CID 129248270

IUPAC2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1NCCc1c(-c2cccc(F)c2)c(=O)n2cc(F)ccc2c1C1CC1
InChIInChI=1S/C25H20F2N6O/c26-17-3-1-2-15(10-17)22-19(8-9-30-23-16(11-28)12-31-25(29)32-23)21(14-4-5-14)20-7-6-18(27)13-33(20)24(22)34/h1-3,6-7,10,12-14H,4-5,8-9H2,(H3,29,30,31,32)
InChIKeyXQAAGEIMUIPXFO-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.02
Rot. Bonds6

About 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile

2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 129248270) has the molecular formula C25H20F2N6O and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID129248270
Molecular FormulaC25H20F2N6O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1NCCc1c(-c2cccc(F)c2)c(=O)n2cc(F)ccc2c1C1CC1
InChIInChI=1S/C25H20F2N6O/c26-17-3-1-2-15(10-17)22-19(8-9-30-23-16(11-28)12-31-25(29)32-23)21(14-4-5-14)20-7-6-18(27)13-33(20)24(22)34/h1-3,6-7,10,12-14H,4-5,8-9H2,(H3,29,30,31,32)
InChIKeyXQAAGEIMUIPXFO-UHFFFAOYSA-N
XLogP4.02
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[2-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 129248363
2-amino-4-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262535
4-amino-6-[2-[1-(3,5-difluorophenyl)-7-fluoro-4-oxo-3-phenylquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248493
4-amino-6-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262480
4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
4-amino-6-[[(1S)-1-(1-cyclopropyl-7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262442
4-amino-6-[2-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248853
4-amino-6-[[(1S)-1-[1-cyclopropyl-7-fluoro-3-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 129262485
2-amino-4-[[(1S)-1-[8-(3-fluorophenyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 71275968
4-amino-6-[[(1S)-1-[3-cyclopropyl-7-fluoro-1-(4-fluorophenyl)-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 162649761
4-amino-6-[1-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627726
2,4-diamino-6-[[(1S)-1-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 129262526

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile (CID 129248270) is 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(N)nc1NCCc1c(-c2cccc(F)c2)c(=O)n2cc(F)ccc2c1C1CC1.
What is the InChIKey of 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is XQAAGEIMUIPXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O/c26-17-3-1-2-15(10-17)22-19(8-9-30-23-16(11-28)12-31-25(29)32-23)21(14-4-5-14)20-7-6-18(27)13-33(20)24(22)34/h1-3,6-7,10,12-14H,4-5,8-9H2,(H3,29,30,31,32).
What are the key properties of 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile?
2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 458.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[1-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129248270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).