4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H21ClFN3 — CID 134791554

IUPAC4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H21ClFN3/c1-2-21-25-20-10-11-27(13-15-4-3-5-18(24)12-15)14-19(20)22(26-21)16-6-8-17(23)9-7-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyUUDREBXCFYTOGS-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.06
Rot. Bonds4

About 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134791554) has the molecular formula C22H21ClFN3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134791554
Molecular FormulaC22H21ClFN3
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Name4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C22H21ClFN3/c1-2-21-25-20-10-11-27(13-15-4-3-5-18(24)12-15)14-19(20)22(26-21)16-6-8-17(23)9-7-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyUUDREBXCFYTOGS-UHFFFAOYSA-N
XLogP5.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134791554) is 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UUDREBXCFYTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3/c1-2-21-25-20-10-11-27(13-15-4-3-5-18(24)12-15)14-19(20)22(26-21)16-6-8-17(23)9-7-16/h3-9,12H,2,10-11,13-14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 381.88 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134791554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).