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

C35H35Cl2N9O4 — CID 177216242

IUPAC5-[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
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4ncnc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1NCC2(CCNC2)N1
InChIInChI=1S/C29H24Cl2N6O3.C6H11N3O/c1-36-26-22(28(38)37(2)29(36)39)25(32-14-33-26)34-20-12-6-10-18(24(20)31)17-9-5-11-19(23(17)30)21-13-15-7-4-8-16(15)27(35-21)40-3;10-5-8-4-6(9-5)1-2-7-3-6/h5-6,9-14H,4,7-8H2,1-3H3,(H,32,33,34);7H,1-4H2,(H2,8,9,10)
InChIKeyUCFFUXGUBVHNAB-UHFFFAOYSA-N
MW716.63 g/mol
LogP4.34
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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one

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 (PubChem CID 177216242) has the molecular formula C35H35Cl2N9O4 and a molecular weight of 716.63 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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID177216242
Molecular FormulaC35H35Cl2N9O4
Molecular Weight716.63 g/mol
Exact Mass715.22
IUPAC Name5-[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
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4ncnc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1NCC2(CCNC2)N1
InChIInChI=1S/C29H24Cl2N6O3.C6H11N3O/c1-36-26-22(28(38)37(2)29(36)39)25(32-14-33-26)34-20-12-6-10-18(24(20)31)17-9-5-11-19(23(17)30)21-13-15-7-4-8-16(15)27(35-21)40-3;10-5-8-4-6(9-5)1-2-7-3-6/h5-6,9-14H,4,7-8H2,1-3H3,(H,32,33,34);7H,1-4H2,(H2,8,9,10)
InChIKeyUCFFUXGUBVHNAB-UHFFFAOYSA-N
XLogP4.34
TPSA157.09 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.63
LogP ≤ 54.34
H-Bond Donors ≤ 54
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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-3-methylpyrido[3,4-d]pyridazin-4-one;2,6-diazaspiro[4.5]decan-7-one
CID 177215707
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-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]-1,3,7-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-dimethylpyrido[4,3-d]pyrimidine-2,4-dione;1-methyl-3-[3-(methylamino)propyl]urea
CID 177216522
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]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 177215801
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(2-oxo-1,3,7-triazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177215984
5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-7-(difluoromethyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;ethane;piperidine-4-carboxylic acid
CID 177214519
5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177216492
5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-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 177215179

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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one (CID 177216242) is 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.
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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one is COc1nc(-c2cccc(-c3cccc(Nc4ncnc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1NCC2(CCNC2)N1.
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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is UCFFUXGUBVHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N6O3.C6H11N3O/c1-36-26-22(28(38)37(2)29(36)39)25(32-14-33-26)34-20-12-6-10-18(24(20)31)17-9-5-11-19(23(17)30)21-13-15-7-4-8-16(15)27(35-21)40-3;10-5-8-4-6(9-5)1-2-7-3-6/h5-6,9-14H,4,7-8H2,1-3H3,(H,32,33,34);7H,1-4H2,(H2,8,9,10).
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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one?
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 has a molecular weight of 716.63 g/mol, XLogP of 4.34, 5 rotatable bonds, 4 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-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione;1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 177216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).