6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one

C26H21F3N6O — CID 166121110

IUPAC6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one
SMILESO=c1cc2[nH]ccn2c2cc(-c3nc(Nc4ccc(C5CCNCC5)c(F)c4)ncc3F)cc(F)c12
InChIInChI=1S/C26H21F3N6O/c27-18-11-16(1-2-17(18)14-3-5-30-6-4-14)33-26-32-13-20(29)25(34-26)15-9-19(28)24-21(10-15)35-8-7-31-23(35)12-22(24)36/h1-2,7-14,30-31H,3-6H2,(H,32,33,34)
InChIKeyWURAOPHJPNAPNP-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.87
Rot. Bonds4

About 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one

6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one (PubChem CID 166121110) has the molecular formula C26H21F3N6O and a molecular weight of 490.49 g/mol. Its IUPAC name is 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one
PubChem CID166121110
Molecular FormulaC26H21F3N6O
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC Name6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one
SMILESO=c1cc2[nH]ccn2c2cc(-c3nc(Nc4ccc(C5CCNCC5)c(F)c4)ncc3F)cc(F)c12
InChIInChI=1S/C26H21F3N6O/c27-18-11-16(1-2-17(18)14-3-5-30-6-4-14)33-26-32-13-20(29)25(34-26)15-9-19(28)24-21(10-15)35-8-7-31-23(35)12-22(24)36/h1-2,7-14,30-31H,3-6H2,(H,32,33,34)
InChIKeyWURAOPHJPNAPNP-UHFFFAOYSA-N
XLogP4.87
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

8-[2-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluoroanilino]-5-fluoropyrimidin-4-yl]-6-fluoro-3H-imidazo[1,2-a]quinolin-5-one
CID 166120814
6-fluoro-8-[5-fluoro-2-[[5-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one
CID 166121131
5-[[5-fluoro-4-(5-fluoro-4-oxo-1-propan-2-ylquinolin-7-yl)pyrimidin-2-yl]amino]-2-piperazin-1-ylbenzonitrile
CID 166121031
5-fluoro-7-[5-fluoro-2-(3-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
CID 166120867
5-fluoro-4-(8-fluoro-3-methylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 163417187
N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754141
6-[5-fluoro-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]-2,2,8-trimethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139410330
4-[4-(cyclohexylmethyl)-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]-5-fluoro-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 139410357
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
4-(8-chloro-2,2-dimethyl-4-propan-2-yl-3H-1,4-benzoxazin-6-yl)-5-fluoro-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 139410390
5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
CID 162748564
6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-piperidin-4-ylpyridine-2-carbonitrile
CID 139389980

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one?
The IUPAC name of 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one (CID 166121110) is 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one.
What is the SMILES notation for 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one?
The canonical SMILES for 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one is O=c1cc2[nH]ccn2c2cc(-c3nc(Nc4ccc(C5CCNCC5)c(F)c4)ncc3F)cc(F)c12.
What is the InChIKey of 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one?
The InChIKey is WURAOPHJPNAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O/c27-18-11-16(1-2-17(18)14-3-5-30-6-4-14)33-26-32-13-20(29)25(34-26)15-9-19(28)24-21(10-15)35-8-7-31-23(35)12-22(24)36/h1-2,7-14,30-31H,3-6H2,(H,32,33,34).
What are the key properties of 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one?
6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one has a molecular weight of 490.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[5-fluoro-2-(3-fluoro-4-piperidin-4-ylanilino)pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one is sourced from PubChem (CID 166121110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).