7-pyrimidin-5-yl-1H-indole

C12H9N3 — CID 155804260

IUPAC7-pyrimidin-5-yl-1H-indole
SMILESc1cc(-c2cncnc2)c2[nH]ccc2c1
InChIInChI=1S/C12H9N3/c1-2-9-4-5-15-12(9)11(3-1)10-6-13-8-14-7-10/h1-8,15H
InChIKeyKNUUREUAYBAWLS-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds1

About 7-pyrimidin-5-yl-1H-indole

7-pyrimidin-5-yl-1H-indole (PubChem CID 155804260) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 7-pyrimidin-5-yl-1H-indole.

Molecular Properties

Compound Name7-pyrimidin-5-yl-1H-indole
PubChem CID155804260
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name7-pyrimidin-5-yl-1H-indole
SMILESc1cc(-c2cncnc2)c2[nH]ccc2c1
InChIInChI=1S/C12H9N3/c1-2-9-4-5-15-12(9)11(3-1)10-6-13-8-14-7-10/h1-8,15H
InChIKeyKNUUREUAYBAWLS-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 155799174
7-(3-chlorophenyl)-1H-indole
CID 22049184
7-(3,4-difluorophenyl)-1H-indole
CID 154814930
5-pyrimidin-5-ylisoquinoline
CID 141337488
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
5-(2-methylphenyl)pyrimidine
CID 4188102
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
(E)-N-[5-(1H-cyclohepta[b]pyrrol-8-ylideneamino)pyrrolo[3,4-e][1,3]diazepin-1-yl]-1H-cyclohepta[b]pyrrol-8-imine
CID 172544249
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348
5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
CID 56624008
5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993

Frequently Asked Questions

What is the IUPAC name of 7-pyrimidin-5-yl-1H-indole?
The IUPAC name of 7-pyrimidin-5-yl-1H-indole (CID 155804260) is 7-pyrimidin-5-yl-1H-indole.
What is the SMILES notation for 7-pyrimidin-5-yl-1H-indole?
The canonical SMILES for 7-pyrimidin-5-yl-1H-indole is c1cc(-c2cncnc2)c2[nH]ccc2c1.
What is the InChIKey of 7-pyrimidin-5-yl-1H-indole?
The InChIKey is KNUUREUAYBAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-9-4-5-15-12(9)11(3-1)10-6-13-8-14-7-10/h1-8,15H.
What are the key properties of 7-pyrimidin-5-yl-1H-indole?
7-pyrimidin-5-yl-1H-indole has a molecular weight of 195.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-5-yl-1H-indole is sourced from PubChem (CID 155804260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).