4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C23H30FN5O — CID 46072118

IUPAC4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccccc1CN1CCc2nc(N3CCCCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C23H30FN5O/c24-20-7-3-2-6-18(20)16-27-11-8-21-19(17-27)22(28-12-14-30-15-13-28)26-23(25-21)29-9-4-1-5-10-29/h2-3,6-7H,1,4-5,8-17H2
InChIKeyLWIOHDGMUOJJNM-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.00
Rot. Bonds4

About 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 46072118) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID46072118
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESFc1ccccc1CN1CCc2nc(N3CCCCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C23H30FN5O/c24-20-7-3-2-6-18(20)16-27-11-8-21-19(17-27)22(28-12-14-30-15-13-28)26-23(25-21)29-9-4-1-5-10-29/h2-3,6-7H,1,4-5,8-17H2
InChIKeyLWIOHDGMUOJJNM-UHFFFAOYSA-N
XLogP3.00
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(2-fluoro-5-methylphenyl)methyl]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870515
4-[6-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42870493
4-[6-[(2-fluoro-5-methylphenyl)methyl]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072361
4-[4-(2-fluorophenoxy)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072363
(2-methylphenyl)-(4-morpholin-4-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 46050939
4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072518
(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 46050995
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
6-benzyl-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46959524
3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 42870724
1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46959523

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 46072118) is 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is Fc1ccccc1CN1CCc2nc(N3CCCCC3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is LWIOHDGMUOJJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c24-20-7-3-2-6-18(20)16-27-11-8-21-19(17-27)22(28-12-14-30-15-13-28)26-23(25-21)29-9-4-1-5-10-29/h2-3,6-7H,1,4-5,8-17H2.
What are the key properties of 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 411.53 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46072118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).