(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C22H22N4O2 — CID 142341724

IUPAC(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCCOc1cc(C)cc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)c1
InChIInChI=1S/C22H22N4O2/c1-3-28-18-11-15(2)10-16(12-18)22(27)26-9-7-19-17(14-26)13-24-21(25-19)20-6-4-5-8-23-20/h4-6,8,10-13H,3,7,9,14H2,1-2H3
InChIKeyXRKSVMHHFJHCSZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.44
Rot. Bonds4

About (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 142341724) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID142341724
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCCOc1cc(C)cc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)c1
InChIInChI=1S/C22H22N4O2/c1-3-28-18-11-15(2)10-16(12-18)22(27)26-9-7-19-17(14-26)13-24-21(25-19)20-6-4-5-8-23-20/h4-6,8,10-13H,3,7,9,14H2,1-2H3
InChIKeyXRKSVMHHFJHCSZ-UHFFFAOYSA-N
XLogP3.44
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 142341724) is (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is CCOc1cc(C)cc(C(=O)N2CCc3nc(-c4ccccn4)ncc3C2)c1.
What is the InChIKey of (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is XRKSVMHHFJHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-28-18-11-15(2)10-16(12-18)22(27)26-9-7-19-17(14-26)13-24-21(25-19)20-6-4-5-8-23-20/h4-6,8,10-13H,3,7,9,14H2,1-2H3.
What are the key properties of (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 142341724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).