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

C25H21Cl2N5O2 — CID 24911256

IUPACmethyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(Cl)c1CN1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C25H21Cl2N5O2/c1-34-25(33)22-20(23(27)32(30-22)19-5-3-2-4-6-19)15-31-12-11-21-17(14-31)13-28-24(29-21)16-7-9-18(26)10-8-16/h2-10,13H,11-12,14-15H2,1H3
InChIKeyMCVVKECDLGIGAJ-UHFFFAOYSA-N
MW494.38 g/mol
LogP4.98
Rot. Bonds5

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

methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate (PubChem CID 24911256) has the molecular formula C25H21Cl2N5O2 and a molecular weight of 494.38 g/mol. Its IUPAC name is methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate
PubChem CID24911256
Molecular FormulaC25H21Cl2N5O2
Molecular Weight494.38 g/mol
Exact Mass493.11
IUPAC Namemethyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(Cl)c1CN1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C25H21Cl2N5O2/c1-34-25(33)22-20(23(27)32(30-22)19-5-3-2-4-6-19)15-31-12-11-21-17(14-31)13-28-24(29-21)16-7-9-18(26)10-8-16/h2-10,13H,11-12,14-15H2,1H3
InChIKeyMCVVKECDLGIGAJ-UHFFFAOYSA-N
XLogP4.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909741
methyl 3-[6-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzoate
CID 24916653
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
methyl 4-[(2-tert-butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-5-chloro-1-phenylpyrazole-3-carboxylate
CID 135942803
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909734
methyl 5-chloro-4-[[4-oxo-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate
CID 135942804
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-chloro-3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929130
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909732
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909282

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate (CID 24911256) is methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate is COC(=O)c1nn(-c2ccccc2)c(Cl)c1CN1CCc2nc(-c3ccc(Cl)cc3)ncc2C1.
What is the InChIKey of methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate?
The InChIKey is MCVVKECDLGIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O2/c1-34-25(33)22-20(23(27)32(30-22)19-5-3-2-4-6-19)15-31-12-11-21-17(14-31)13-28-24(29-21)16-7-9-18(26)10-8-16/h2-10,13H,11-12,14-15H2,1H3.
What are the key properties of methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate?
methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate has a molecular weight of 494.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 24911256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).