6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile

C20H15N5O — CID 86767096

IUPAC6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C#N
InChIInChI=1S/C20H15N5O/c1-12-9-14(26-20-16-5-7-22-17(16)6-8-23-20)3-4-15(12)19-13(2)24-11-25-18(19)10-21/h3-9,11,22H,1-2H3
InChIKeyAWDPOYJGTNBQTC-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.30
Rot. Bonds3

About 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile

6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile (PubChem CID 86767096) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile
PubChem CID86767096
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C#N
InChIInChI=1S/C20H15N5O/c1-12-9-14(26-20-16-5-7-22-17(16)6-8-23-20)3-4-15(12)19-13(2)24-11-25-18(19)10-21/h3-9,11,22H,1-2H3
InChIKeyAWDPOYJGTNBQTC-UHFFFAOYSA-N
XLogP4.30
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile (CID 86767096) is 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile is Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C#N.
What is the InChIKey of 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile?
The InChIKey is AWDPOYJGTNBQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-12-9-14(26-20-16-5-7-22-17(16)6-8-23-20)3-4-15(12)19-13(2)24-11-25-18(19)10-21/h3-9,11,22H,1-2H3.
What are the key properties of 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile?
6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 86767096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).