3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one

C18H14N4O — CID 175971314

IUPAC3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one
SMILESCc1ncc(C2C(=O)N(c3ccncc3)c3ccccc32)cn1
InChIInChI=1S/C18H14N4O/c1-12-20-10-13(11-21-12)17-15-4-2-3-5-16(15)22(18(17)23)14-6-8-19-9-7-14/h2-11,17H,1H3
InChIKeyFGRHYFAJWLFGRY-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.99
Rot. Bonds2

About 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one

3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one (PubChem CID 175971314) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one.

Molecular Properties

Compound Name3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one
PubChem CID175971314
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one
SMILESCc1ncc(C2C(=O)N(c3ccncc3)c3ccccc32)cn1
InChIInChI=1S/C18H14N4O/c1-12-20-10-13(11-21-12)17-15-4-2-3-5-16(15)22(18(17)23)14-6-8-19-9-7-14/h2-11,17H,1H3
InChIKeyFGRHYFAJWLFGRY-UHFFFAOYSA-N
XLogP2.99
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one?
The IUPAC name of 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one (CID 175971314) is 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one.
What is the SMILES notation for 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one?
The canonical SMILES for 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one is Cc1ncc(C2C(=O)N(c3ccncc3)c3ccccc32)cn1.
What is the InChIKey of 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one?
The InChIKey is FGRHYFAJWLFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-20-10-13(11-21-12)17-15-4-2-3-5-16(15)22(18(17)23)14-6-8-19-9-7-14/h2-11,17H,1H3.
What are the key properties of 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one?
3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one has a molecular weight of 302.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-5-yl)-1-pyridin-4-yl-3H-indol-2-one is sourced from PubChem (CID 175971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).