6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C18H14F2N4 — CID 153364846

IUPAC6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cc2c(cc1F)CN(c1ccnc(-c3cccnc3)n1)CC2
InChIInChI=1S/C18H14F2N4/c19-15-8-12-4-7-24(11-14(12)9-16(15)20)17-3-6-22-18(23-17)13-2-1-5-21-10-13/h1-3,5-6,8-10H,4,7,11H2
InChIKeyOBXBHTQNYQPZMT-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.38
Rot. Bonds2

About 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 153364846) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID153364846
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cc2c(cc1F)CN(c1ccnc(-c3cccnc3)n1)CC2
InChIInChI=1S/C18H14F2N4/c19-15-8-12-4-7-24(11-14(12)9-16(15)20)17-3-6-22-18(23-17)13-2-1-5-21-10-13/h1-3,5-6,8-10H,4,7,11H2
InChIKeyOBXBHTQNYQPZMT-UHFFFAOYSA-N
XLogP3.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
CID 22328673
2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 134480347
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325247
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 139357693
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
CID 141472671
(2-chloro-4,5-difluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537354
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 153364846) is 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is Fc1cc2c(cc1F)CN(c1ccnc(-c3cccnc3)n1)CC2.
What is the InChIKey of 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is OBXBHTQNYQPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c19-15-8-12-4-7-24(11-14(12)9-16(15)20)17-3-6-22-18(23-17)13-2-1-5-21-10-13/h1-3,5-6,8-10H,4,7,11H2.
What are the key properties of 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 324.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 153364846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).