6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H17FN6O — CID 139461713

IUPAC6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)nc(N2CCc3nc(-c4ccn[nH]4)ncc3C2C)c1
InChIInChI=1S/C17H17FN6O/c1-10-12-9-19-17(14-3-5-20-23-14)21-13(12)4-6-24(10)16-8-11(25-2)7-15(18)22-16/h3,5,7-10H,4,6H2,1-2H3,(H,20,23)
InChIKeyJGXZWGXDZXEPEZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.53
Rot. Bonds3

About 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 139461713) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID139461713
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(F)nc(N2CCc3nc(-c4ccn[nH]4)ncc3C2C)c1
InChIInChI=1S/C17H17FN6O/c1-10-12-9-19-17(14-3-5-20-23-14)21-13(12)4-6-24(10)16-8-11(25-2)7-15(18)22-16/h3,5,7-10H,4,6H2,1-2H3,(H,20,23)
InChIKeyJGXZWGXDZXEPEZ-UHFFFAOYSA-N
XLogP2.53
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 139461713) is 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)nc(N2CCc3nc(-c4ccn[nH]4)ncc3C2C)c1.
What is the InChIKey of 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JGXZWGXDZXEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-10-12-9-19-17(14-3-5-20-23-14)21-13(12)4-6-24(10)16-8-11(25-2)7-15(18)22-16/h3,5,7-10H,4,6H2,1-2H3,(H,20,23).
What are the key properties of 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 340.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-(1H-pyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 139461713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).