2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H28FN5O — CID 20960944

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1
InChIInChI=1S/C25H28FN5O/c1-32-24-9-5-2-6-19(24)17-29-11-10-22-20(18-29)16-27-25(28-22)31-14-12-30(13-15-31)23-8-4-3-7-21(23)26/h2-9,16H,10-15,17-18H2,1H3
InChIKeyPSFUCVHVASMQGD-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960944) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960944
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1
InChIInChI=1S/C25H28FN5O/c1-32-24-9-5-2-6-19(24)17-29-11-10-22-20(18-29)16-27-25(28-22)31-14-12-30(13-15-31)23-8-4-3-7-21(23)26/h2-9,16H,10-15,17-18H2,1H3
InChIKeyPSFUCVHVASMQGD-UHFFFAOYSA-N
XLogP3.51
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960944) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PSFUCVHVASMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-32-24-9-5-2-6-19(24)17-29-11-10-22-20(18-29)16-27-25(28-22)31-14-12-30(13-15-31)23-8-4-3-7-21(23)26/h2-9,16H,10-15,17-18H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 433.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).