5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C37H37Cl2N7O5 — CID 177215801

IUPAC5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1COC2(CNC2)CN1
InChIInChI=1S/C31H27Cl2N5O3.C6H10N2O2/c1-16-14-24-25(30(39)38(3)31(40)37(24)2)28(34-16)35-22-13-7-11-20(27(22)33)19-10-6-12-21(26(19)32)23-15-17-8-5-9-18(17)29(36-23)41-4;9-5-1-10-6(4-8-5)2-7-3-6/h6-7,10-15H,5,8-9H2,1-4H3,(H,34,35);7H,1-4H2,(H,8,9)
InChIKeyQXJDMASCEWJQEV-UHFFFAOYSA-N
MW730.65 g/mol
LogP4.69
Rot. Bonds5

About 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one

5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 177215801) has the molecular formula C37H37Cl2N7O5 and a molecular weight of 730.65 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID177215801
Molecular FormulaC37H37Cl2N7O5
Molecular Weight730.65 g/mol
Exact Mass729.22
IUPAC Name5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1COC2(CNC2)CN1
InChIInChI=1S/C31H27Cl2N5O3.C6H10N2O2/c1-16-14-24-25(30(39)38(3)31(40)37(24)2)28(34-16)35-22-13-7-11-20(27(22)33)19-10-6-12-21(26(19)32)23-15-17-8-5-9-18(17)29(36-23)41-4;9-5-1-10-6(4-8-5)2-7-3-6/h6-7,10-15H,5,8-9H2,1-4H3,(H,34,35);7H,1-4H2,(H,8,9)
InChIKeyQXJDMASCEWJQEV-UHFFFAOYSA-N
XLogP4.69
TPSA141.40 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.65
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one with MolForge

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Related Compounds

5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-7-(difluoromethyl)-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane;5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 177215238
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane
CID 177215690
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177215241
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 177214826
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one
CID 177215863
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane;piperidine-4-carboxylic acid
CID 177214265
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione;methanamine
CID 177215043
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-(methylaminomethyl)pyrrolidin-2-one
CID 177215826
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3-dimethyl-7-(trifluoromethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 177214712
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione;1-methyl-3-[3-(methylamino)propyl]urea
CID 177216522
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one
CID 177216242
5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(7-oxo-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177215581

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 177215801) is 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one is COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1COC2(CNC2)CN1.
What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is QXJDMASCEWJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O3.C6H10N2O2/c1-16-14-24-25(30(39)38(3)31(40)37(24)2)28(34-16)35-22-13-7-11-20(27(22)33)19-10-6-12-21(26(19)32)23-15-17-8-5-9-18(17)29(36-23)41-4;9-5-1-10-6(4-8-5)2-7-3-6/h6-7,10-15H,5,8-9H2,1-4H3,(H,34,35);7H,1-4H2,(H,8,9).
What are the key properties of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 730.65 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 177215801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).