1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole

C17H14N4 — CID 66493686

IUPAC1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1ccc(-c2ccnc(N3CCc4ccccc43)n2)nc1
InChIInChI=1S/C17H14N4/c1-2-7-16-13(5-1)9-12-21(16)17-19-11-8-15(20-17)14-6-3-4-10-18-14/h1-8,10-11H,9,12H2
InChIKeyNBSKOQXMWKTMOX-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole

1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole (PubChem CID 66493686) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
PubChem CID66493686
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1ccc(-c2ccnc(N3CCc4ccccc43)n2)nc1
InChIInChI=1S/C17H14N4/c1-2-7-16-13(5-1)9-12-21(16)17-19-11-8-15(20-17)14-6-3-4-10-18-14/h1-8,10-11H,9,12H2
InChIKeyNBSKOQXMWKTMOX-UHFFFAOYSA-N
XLogP3.23
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493687
1-(4-naphthalen-2-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493763
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 25251781
N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
CID 24834345
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
pyrrolo[3,2-b]azepine
CID 66934182
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole (CID 66493686) is 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole is c1ccc(-c2ccnc(N3CCc4ccccc43)n2)nc1.
What is the InChIKey of 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
The InChIKey is NBSKOQXMWKTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-7-16-13(5-1)9-12-21(16)17-19-11-8-15(20-17)14-6-3-4-10-18-14/h1-8,10-11H,9,12H2.
What are the key properties of 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole?
1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole has a molecular weight of 274.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 66493686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).