1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone

C24H21ClFN3O — CID 134795002

IUPAC1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C24H21ClFN3O/c25-18-7-5-16(6-8-18)23-20-14-29(22(30)13-15-1-9-19(26)10-2-15)12-11-21(20)27-24(28-23)17-3-4-17/h1-2,5-10,17H,3-4,11-14H2
InChIKeyGYIOWDWRFFYXNF-UHFFFAOYSA-N
MW421.90 g/mol
LogP4.94
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone

1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 134795002) has the molecular formula C24H21ClFN3O and a molecular weight of 421.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
PubChem CID134795002
Molecular FormulaC24H21ClFN3O
Molecular Weight421.90 g/mol
Exact Mass421.14
IUPAC Name1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C24H21ClFN3O/c25-18-7-5-16(6-8-18)23-20-14-29(22(30)13-15-1-9-19(26)10-2-15)12-11-21(20)27-24(28-23)17-3-4-17/h1-2,5-10,17H,3-4,11-14H2
InChIKeyGYIOWDWRFFYXNF-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-2-methyl-4-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 86281948
[4-(4-Chlorophenyl)quinazolin-2-yl]-piperidin-1-ylmethanone
CID 57523104
[4-(4-Chlorophenyl)-2-cyclopropyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134795172
(2,3-dichlorophenyl)-(2-methyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86281816
(2,3-dichlorophenyl)-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281817
US10150766, Example 13
CID 118949345
US10150766, Example 54
CID 118949431
US10150766, Example 51
CID 118949432
US10150766, Example 15
CID 118949665
Rel-2-(3-fluorophenyl)-1-[(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[D]pyrimidin-10-YL]ethanone
CID 110196680
[4-(4-Chlorophenyl)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134795008
2-(4-Chlorophenyl)-1-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-YL]piperazin-1-YL}ethan-1-one
CID 91892364

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone (CID 134795002) is 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is GYIOWDWRFFYXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O/c25-18-7-5-16(6-8-18)23-20-14-29(22(30)13-15-1-9-19(26)10-2-15)12-11-21(20)27-24(28-23)17-3-4-17/h1-2,5-10,17H,3-4,11-14H2.
What are the key properties of 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 421.90 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 134795002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).