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

C17H14N4 — CID 66493687

IUPAC1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1cncc(-c2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C17H14N4/c1-2-6-16-13(4-1)8-11-21(16)17-19-10-7-15(20-17)14-5-3-9-18-12-14/h1-7,9-10,12H,8,11H2
InChIKeyWJRWJMHTLPOOMN-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.23
Rot. Bonds2

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

1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole (PubChem CID 66493687) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
PubChem CID66493687
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
SMILESc1cncc(-c2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C17H14N4/c1-2-6-16-13(4-1)8-11-21(16)17-19-10-7-15(20-17)14-5-3-9-18-12-14/h1-7,9-10,12H,8,11H2
InChIKeyWJRWJMHTLPOOMN-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

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CID 9210
SB-220025
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4-Phenylpyrimidine
CID 18923
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4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
Quinazolin-2-amine
CID 519332
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
Pik-iii
CID 67983123

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole (CID 66493687) is 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole is c1cncc(-c2ccnc(N3CCc4ccccc43)n2)c1.
What is the InChIKey of 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole?
The InChIKey is WJRWJMHTLPOOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-6-16-13(4-1)8-11-21(16)17-19-10-7-15(20-17)14-5-3-9-18-12-14/h1-7,9-10,12H,8,11H2.
What are the key properties of 1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole?
1-(4-pyridin-3-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-3-ylpyrimidin-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 66493687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).