2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one

C23H22FN5O2 — CID 153382174

IUPAC2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(F)cc(-c3ccc4nc(C5CCN(C6CC6)CC5)[nH]c(=O)c4n3)cc2o1
InChIInChI=1S/C23H22FN5O2/c1-12-25-20-16(24)10-14(11-19(20)31-12)17-4-5-18-21(26-17)23(30)28-22(27-18)13-6-8-29(9-7-13)15-2-3-15/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,27,28,30)
InChIKeyWLLMCGSPXPLZHU-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.92
Rot. Bonds3

About 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one

2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 153382174) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID153382174
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(F)cc(-c3ccc4nc(C5CCN(C6CC6)CC5)[nH]c(=O)c4n3)cc2o1
InChIInChI=1S/C23H22FN5O2/c1-12-25-20-16(24)10-14(11-19(20)31-12)17-4-5-18-21(26-17)23(30)28-22(27-18)13-6-8-29(9-7-13)15-2-3-15/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,27,28,30)
InChIKeyWLLMCGSPXPLZHU-UHFFFAOYSA-N
XLogP3.92
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 153382077
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
CID 167610956
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one;2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-6-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one;(3-fluoro-4-methylphenyl)boronic acid;methane
CID 167636175
7-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 170553865
2-(1-cyclohexylpiperidin-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 77097430
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
CID 170593584
N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
CID 170594005
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole
CID 176929490
2-[(1R,3S)-3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]cyclopentyl]-6-fluoro-3H-quinazolin-4-one
CID 176964970

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 153382174) is 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one is Cc1nc2c(F)cc(-c3ccc4nc(C5CCN(C6CC6)CC5)[nH]c(=O)c4n3)cc2o1.
What is the InChIKey of 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is WLLMCGSPXPLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-12-25-20-16(24)10-14(11-19(20)31-12)17-4-5-18-21(26-17)23(30)28-22(27-18)13-6-8-29(9-7-13)15-2-3-15/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,27,28,30).
What are the key properties of 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one?
2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 419.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 153382174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).