4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H27FN4OS — CID 46072171

IUPAC4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H27FN4OS/c1-17-10-14-31-22(17)16-28-13-9-21-20(15-28)23(30-19-7-5-18(25)6-8-19)27-24(26-21)29-11-3-2-4-12-29/h5-8,10,14H,2-4,9,11-13,15-16H2,1H3
InChIKeyBHPIXYMAKGHQOV-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.33
Rot. Bonds5

About 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46072171) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46072171
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H27FN4OS/c1-17-10-14-31-22(17)16-28-13-9-21-20(15-28)23(30-19-7-5-18(25)6-8-19)27-24(26-21)29-11-3-2-4-12-29/h5-8,10,14H,2-4,9,11-13,15-16H2,1H3
InChIKeyBHPIXYMAKGHQOV-UHFFFAOYSA-N
XLogP5.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46072171) is 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccsc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BHPIXYMAKGHQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-17-10-14-31-22(17)16-28-13-9-21-20(15-28)23(30-19-7-5-18(25)6-8-19)27-24(26-21)29-11-3-2-4-12-29/h5-8,10,14H,2-4,9,11-13,15-16H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 438.57 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46072171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).