6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H18F2N4O2 — CID 121455909

IUPAC6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccnc(-c2ncc3c(n2)CCN(c2cc(F)c(F)c(OC)c2)C3)c1
InChIInChI=1S/C20H18F2N4O2/c1-27-14-3-5-23-17(9-14)20-24-10-12-11-26(6-4-16(12)25-20)13-7-15(21)19(22)18(8-13)28-2/h3,5,7-10H,4,6,11H2,1-2H3
InChIKeyZUAXAAINTUBIOL-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.40
Rot. Bonds4

About 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455909) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455909
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccnc(-c2ncc3c(n2)CCN(c2cc(F)c(F)c(OC)c2)C3)c1
InChIInChI=1S/C20H18F2N4O2/c1-27-14-3-5-23-17(9-14)20-24-10-12-11-26(6-4-16(12)25-20)13-7-15(21)19(22)18(8-13)28-2/h3,5,7-10H,4,6,11H2,1-2H3
InChIKeyZUAXAAINTUBIOL-UHFFFAOYSA-N
XLogP3.40
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455909) is 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccnc(-c2ncc3c(n2)CCN(c2cc(F)c(F)c(OC)c2)C3)c1.
What is the InChIKey of 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZUAXAAINTUBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-27-14-3-5-23-17(9-14)20-24-10-12-11-26(6-4-16(12)25-20)13-7-15(21)19(22)18(8-13)28-2/h3,5,7-10H,4,6,11H2,1-2H3.
What are the key properties of 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 384.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoro-5-methoxyphenyl)-2-(4-methoxy-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).