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

C20H24ClFN4 — CID 110240639

IUPAC6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCCC1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2
InChIInChI=1S/C20H24ClFN4/c1-25-8-3-2-4-19(25)20-23-11-15-13-26(9-7-18(15)24-20)12-14-5-6-16(21)17(22)10-14/h5-6,10-11,19H,2-4,7-9,12-13H2,1H3
InChIKeyDMNHPKJFVMXOBG-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.98
Rot. Bonds3

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

6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110240639) has the molecular formula C20H24ClFN4 and a molecular weight of 374.89 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110240639
Molecular FormulaC20H24ClFN4
Molecular Weight374.89 g/mol
Exact Mass374.17
IUPAC Name6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCCC1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2
InChIInChI=1S/C20H24ClFN4/c1-25-8-3-2-4-19(25)20-23-11-15-13-26(9-7-18(15)24-20)12-14-5-6-16(21)17(22)10-14/h5-6,10-11,19H,2-4,7-9,12-13H2,1H3
InChIKeyDMNHPKJFVMXOBG-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110240639) is 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCCCC1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DMNHPKJFVMXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4/c1-25-8-3-2-4-19(25)20-23-11-15-13-26(9-7-18(15)24-20)12-14-5-6-16(21)17(22)10-14/h5-6,10-11,19H,2-4,7-9,12-13H2,1H3.
What are the key properties of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 374.89 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110240639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).