N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

C33H32Cl2N6O4 — CID 167338567

IUPACN-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)[C@H](C)C2
InChIInChI=1S/C33H32Cl2N6O4/c1-17-14-18-15-25(40-32(45-3)27(18)30(17)36-16-19-10-11-26(42)38-19)22-8-4-6-20(28(22)34)21-7-5-9-24(29(21)35)39-31(43)23-12-13-37-41(2)33(23)44/h4-9,12-13,15,17,19,30,36H,10-11,14,16H2,1-3H3,(H,38,42)(H,39,43)/t17-,19+,30+/m1/s1
InChIKeyNLCWRHFQOXPRAX-ODUWVKTISA-N
MW647.56 g/mol
LogP5.18
Rot. Bonds8

About N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 167338567) has the molecular formula C33H32Cl2N6O4 and a molecular weight of 647.56 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
PubChem CID167338567
Molecular FormulaC33H32Cl2N6O4
Molecular Weight647.56 g/mol
Exact Mass646.19
IUPAC NameN-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)[C@H](C)C2
InChIInChI=1S/C33H32Cl2N6O4/c1-17-14-18-15-25(40-32(45-3)27(18)30(17)36-16-19-10-11-26(42)38-19)22-8-4-6-20(28(22)34)21-7-5-9-24(29(21)35)39-31(43)23-12-13-37-41(2)33(23)44/h4-9,12-13,15,17,19,30,36H,10-11,14,16H2,1-3H3,(H,38,42)(H,39,43)/t17-,19+,30+/m1/s1
InChIKeyNLCWRHFQOXPRAX-ODUWVKTISA-N
XLogP5.18
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.56
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide with MolForge

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Related Compounds

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-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338378
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-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-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338500
N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 168812498
N-[3-[2-chloro-6-fluoro-3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338501
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-[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-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338089

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 167338567) is N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)[C@H](C)C2.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?
The InChIKey is NLCWRHFQOXPRAX-ODUWVKTISA-N. The full InChI is InChI=1S/C33H32Cl2N6O4/c1-17-14-18-15-25(40-32(45-3)27(18)30(17)36-16-19-10-11-26(42)38-19)22-8-4-6-20(28(22)34)21-7-5-9-24(29(21)35)39-31(43)23-12-13-37-41(2)33(23)44/h4-9,12-13,15,17,19,30,36H,10-11,14,16H2,1-3H3,(H,38,42)(H,39,43)/t17-,19+,30+/m1/s1.
What are the key properties of N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?
N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 647.56 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[(6R,7S)-1-methoxy-6-methyl-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167338567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).