6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole

C24H16ClFN4 — CID 91321348

IUPAC6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=Cc3c(F)cc(Cl)cc32)ccn1
InChIInChI=1S/C24H16ClFN4/c1-15-7-19(5-6-29-15)24(22-9-20(25)10-23(26)21(22)13-30-24)18-4-2-3-16(8-18)17-11-27-14-28-12-17/h2-14H,1H3
InChIKeyFOMGOFQVWUNLBN-UHFFFAOYSA-N
MW414.87 g/mol
LogP5.36
Rot. Bonds3

About 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole

6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole (PubChem CID 91321348) has the molecular formula C24H16ClFN4 and a molecular weight of 414.87 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole.

Molecular Properties

Compound Name6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole
PubChem CID91321348
Molecular FormulaC24H16ClFN4
Molecular Weight414.87 g/mol
Exact Mass414.10
IUPAC Name6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=Cc3c(F)cc(Cl)cc32)ccn1
InChIInChI=1S/C24H16ClFN4/c1-15-7-19(5-6-29-15)24(22-9-20(25)10-23(26)21(22)13-30-24)18-4-2-3-16(8-18)17-11-27-14-28-12-17/h2-14H,1H3
InChIKeyFOMGOFQVWUNLBN-UHFFFAOYSA-N
XLogP5.36
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.87
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-3839
CID 46202416
Htl14242
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CID 131736
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
Piperidinyl triazole derivative 1
CID 53497458
3-Chloro-4-fluoro-5-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]benzonitrile
CID 91668258
6-[6-(3-Chloro-5-cyanophenyl)pyrimidin-4-yl]pyridine-3-carbonitrile
CID 117821593
4-(4-Chlorophenyl)-6-(dimethylamino)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480439
(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)-1,2-dihydroisoindol-1-amine
CID 60210951
2-Amino-9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepine
CID 9862708
9-Chloro-2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225498

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole?
The IUPAC name of 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole (CID 91321348) is 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole.
What is the SMILES notation for 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole?
The canonical SMILES for 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole is Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=Cc3c(F)cc(Cl)cc32)ccn1.
What is the InChIKey of 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole?
The InChIKey is FOMGOFQVWUNLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4/c1-15-7-19(5-6-29-15)24(22-9-20(25)10-23(26)21(22)13-30-24)18-4-2-3-16(8-18)17-11-27-14-28-12-17/h2-14H,1H3.
What are the key properties of 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole?
6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole has a molecular weight of 414.87 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-1-(2-methyl-4-pyridinyl)-1-(3-pyrimidin-5-ylphenyl)isoindole is sourced from PubChem (CID 91321348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).