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

C24H24F3N5 — CID 20960962

IUPAC6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1
InChIInChI=1S/C24H24F3N5/c25-19-5-1-2-7-22(19)31-10-12-32(13-11-31)24-28-14-18-16-30(9-8-21(18)29-24)15-17-4-3-6-20(26)23(17)27/h1-7,14H,8-13,15-16H2
InChIKeyKSGKAYMVLQHSIZ-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.78
Rot. Bonds4

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

6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960962) has the molecular formula C24H24F3N5 and a molecular weight of 439.49 g/mol. Its IUPAC name is 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960962
Molecular FormulaC24H24F3N5
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1
InChIInChI=1S/C24H24F3N5/c25-19-5-1-2-7-22(19)31-10-12-32(13-11-31)24-28-14-18-16-30(9-8-21(18)29-24)15-17-4-3-6-20(26)23(17)27/h1-7,14H,8-13,15-16H2
InChIKeyKSGKAYMVLQHSIZ-UHFFFAOYSA-N
XLogP3.78
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960962) is 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1.
What is the InChIKey of 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KSGKAYMVLQHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5/c25-19-5-1-2-7-22(19)31-10-12-32(13-11-31)24-28-14-18-16-30(9-8-21(18)29-24)15-17-4-3-6-20(26)23(17)27/h1-7,14H,8-13,15-16H2.
What are the key properties of 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 439.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).