3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one

C20H17FN4O2 — CID 90059343

IUPAC3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccncc2NC1=O
InChIInChI=1S/C20H17FN4O2/c1-13-4-5-15(27-12-18-16(21)3-2-7-23-18)9-19(13)25-11-14-6-8-22-10-17(14)24-20(25)26/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyVZMYSUXRRDQGIF-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.06
Rot. Bonds4

About 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one

3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 90059343) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
PubChem CID90059343
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
SMILESCc1ccc(OCc2ncccc2F)cc1N1Cc2ccncc2NC1=O
InChIInChI=1S/C20H17FN4O2/c1-13-4-5-15(27-12-18-16(21)3-2-7-23-18)9-19(13)25-11-14-6-8-22-10-17(14)24-20(25)26/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyVZMYSUXRRDQGIF-UHFFFAOYSA-N
XLogP4.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one with MolForge

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Related Compounds

1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
(R)-1-[3-(1-Acetyl-piperidin-3-yloxy)-5-fluoro-phenyl]-3-pyridin-3-yl-urea
CID 11696413
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxyquinolin-2(1H)-one
CID 11983362
N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967634
1-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinazolin-2-one
CID 56834575
N-[5-[[6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-3-piperidin-1-yl-2-pyridinyl]oxy]-2-methylphenyl]prop-2-enamide
CID 149839762
3-[[4-(3-Fluoropropoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 164143991
3-[[4-(4,4-Difluorobutoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168275375
3-[[4-(2,2-Difluoroethoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168275647
3-[[4-(2-Fluoroethoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168276277
1-[(5-Fluoro-2-pyridinyl)methyl]-3-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168279189
3-[[4-(2-Fluoro-2-methylpropoxy)phenyl]methyl]-1-[(5-fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168280186

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one (CID 90059343) is 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one is Cc1ccc(OCc2ncccc2F)cc1N1Cc2ccncc2NC1=O.
What is the InChIKey of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is VZMYSUXRRDQGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-4-5-15(27-12-18-16(21)3-2-7-23-18)9-19(13)25-11-14-6-8-22-10-17(14)24-20(25)26/h2-10H,11-12H2,1H3,(H,24,26).
What are the key properties of 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one has a molecular weight of 364.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 90059343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).