N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C36H36Cl2N6O5 — CID 167338367

IUPACN-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OCC6CC6)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C36H36Cl2N6O5/c1-43-17-25(35(47)44(2)36(43)48)33(46)41-27-8-4-6-23(32(27)38)22-5-3-7-24(31(22)37)28-15-20-11-13-26(39-16-21-12-14-29(45)40-21)30(20)34(42-28)49-18-19-9-10-19/h3-8,15,17,19,21,26,39H,9-14,16,18H2,1-2H3,(H,40,45)(H,41,46)
InChIKeyZTMYWIGBDJTDOB-UHFFFAOYSA-N
MW703.63 g/mol
LogP5.02
Rot. Bonds10

About N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167338367) has the molecular formula C36H36Cl2N6O5 and a molecular weight of 703.63 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID167338367
Molecular FormulaC36H36Cl2N6O5
Molecular Weight703.63 g/mol
Exact Mass702.21
IUPAC NameN-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OCC6CC6)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C36H36Cl2N6O5/c1-43-17-25(35(47)44(2)36(43)48)33(46)41-27-8-4-6-23(32(27)38)22-5-3-7-24(31(22)37)28-15-20-11-13-26(39-16-21-12-14-29(45)40-21)30(20)34(42-28)49-18-19-9-10-19/h3-8,15,17,19,21,26,39H,9-14,16,18H2,1-2H3,(H,40,45)(H,41,46)
InChIKeyZTMYWIGBDJTDOB-UHFFFAOYSA-N
XLogP5.02
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.63
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide 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

N-[2-chloro-3-[3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338112
N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337989
N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338022
N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338249
N-[2-fluoro-3-[2-fluoro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338230
N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337974
N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 171736691
N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338430
N-[2-chloro-3-[3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338103
N-[2-chloro-3-[3-[(3R)-4-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338498
N-[3-[2,6-difluoro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337971
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177216329

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 167338367) is N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OCC6CC6)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is ZTMYWIGBDJTDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Cl2N6O5/c1-43-17-25(35(47)44(2)36(43)48)33(46)41-27-8-4-6-23(32(27)38)22-5-3-7-24(31(22)37)28-15-20-11-13-26(39-16-21-12-14-29(45)40-21)30(20)34(42-28)49-18-19-9-10-19/h3-8,15,17,19,21,26,39H,9-14,16,18H2,1-2H3,(H,40,45)(H,41,46).
What are the key properties of N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 703.63 g/mol, XLogP of 5.02, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[1-(cyclopropylmethoxy)-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167338367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).