4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

C21H21Cl2N5OS — CID 24913461

IUPAC4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2sc(N4CCOCC4)nc2Cl)C3)cc1
InChIInChI=1S/C21H21Cl2N5OS/c22-16-3-1-14(2-4-16)20-24-11-15-12-27(6-5-17(15)25-20)13-18-19(23)26-21(30-18)28-7-9-29-10-8-28/h1-4,11H,5-10,12-13H2
InChIKeyFPPHOCSJEFZAEN-UHFFFAOYSA-N
MW462.41 g/mol
LogP4.30
Rot. Bonds4

About 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 24913461) has the molecular formula C21H21Cl2N5OS and a molecular weight of 462.41 g/mol. Its IUPAC name is 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID24913461
Molecular FormulaC21H21Cl2N5OS
Molecular Weight462.41 g/mol
Exact Mass461.08
IUPAC Name4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2sc(N4CCOCC4)nc2Cl)C3)cc1
InChIInChI=1S/C21H21Cl2N5OS/c22-16-3-1-14(2-4-16)20-24-11-15-12-27(6-5-17(15)25-20)13-18-19(23)26-21(30-18)28-7-9-29-10-8-28/h1-4,11H,5-10,12-13H2
InChIKeyFPPHOCSJEFZAEN-UHFFFAOYSA-N
XLogP4.30
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine with MolForge

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Related Compounds

4-[5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24911508
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
6-[(2-chloro-6-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916590
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911088
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 24913461) is 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2sc(N4CCOCC4)nc2Cl)C3)cc1.
What is the InChIKey of 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is FPPHOCSJEFZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5OS/c22-16-3-1-14(2-4-16)20-24-11-15-12-27(6-5-17(15)25-20)13-18-19(23)26-21(30-18)28-7-9-29-10-8-28/h1-4,11H,5-10,12-13H2.
What are the key properties of 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 462.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 24913461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).