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

C24H28FN5OS — CID 83283666

IUPAC4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCN(C)CC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28FN5OS/c1-17-8-14-32-22(17)16-29-9-7-21-20(15-29)23(31-19-5-3-18(25)4-6-19)27-24(26-21)30-12-10-28(2)11-13-30/h3-6,8,14H,7,9-13,15-16H2,1-2H3
InChIKeyKISXVCXDIKOHOQ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.09
Rot. Bonds5

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

4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 83283666) has the molecular formula C24H28FN5OS and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID83283666
Molecular FormulaC24H28FN5OS
Molecular Weight453.59 g/mol
Exact Mass453.20
IUPAC Name4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccsc1CN1CCc2nc(N3CCN(C)CC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28FN5OS/c1-17-8-14-32-22(17)16-29-9-7-21-20(15-29)23(31-19-5-3-18(25)4-6-19)27-24(26-21)30-12-10-28(2)11-13-30/h3-6,8,14H,7,9-13,15-16H2,1-2H3
InChIKeyKISXVCXDIKOHOQ-UHFFFAOYSA-N
XLogP4.09
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072171
4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(4-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072187
4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870625
4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92570674
6-[(2-fluoro-5-methylphenyl)methyl]-4-(3-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072246
6-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960662
6-[(3-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960927
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
3-[[4-(4-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 46072411
4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83285555
[4-(3-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
CID 46073394
6-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861097

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 83283666) is 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccsc1CN1CCc2nc(N3CCN(C)CC3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KISXVCXDIKOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5OS/c1-17-8-14-32-22(17)16-29-9-7-21-20(15-29)23(31-19-5-3-18(25)4-6-19)27-24(26-21)30-12-10-28(2)11-13-30/h3-6,8,14H,7,9-13,15-16H2,1-2H3.
What are the key properties of 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 453.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 83283666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).