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

C33H33ClN6O6 — CID 167338498

IUPACN-[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
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2C)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)CO2
InChIInChI=1S/C33H33ClN6O6/c1-17-19(21-9-6-10-23(29(21)34)37-30(42)22-15-39(2)33(44)40(3)32(22)43)7-5-8-20(17)24-13-26-28(31(38-24)45-4)25(16-46-26)35-14-18-11-12-27(41)36-18/h5-10,13,15,18,25,35H,11-12,14,16H2,1-4H3,(H,36,41)(H,37,42)/t18-,25-/m0/s1
InChIKeyPPOHOKOEMDWYKV-BVZFJXPGSA-N
MW645.12 g/mol
LogP3.34
Rot. Bonds8

About 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

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 (PubChem CID 167338498) has the molecular formula C33H33ClN6O6 and a molecular weight of 645.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167338498
Molecular FormulaC33H33ClN6O6
Molecular Weight645.12 g/mol
Exact Mass644.22
IUPAC NameN-[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
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2C)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)CO2
InChIInChI=1S/C33H33ClN6O6/c1-17-19(21-9-6-10-23(29(21)34)37-30(42)22-15-39(2)33(44)40(3)32(22)43)7-5-8-20(17)24-13-26-28(31(38-24)45-4)25(16-46-26)35-14-18-11-12-27(41)36-18/h5-10,13,15,18,25,35H,11-12,14,16H2,1-4H3,(H,36,41)(H,37,42)/t18-,25-/m0/s1
InChIKeyPPOHOKOEMDWYKV-BVZFJXPGSA-N
XLogP3.34
TPSA145.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.12
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[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-[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
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-[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
N-[2-chloro-3-[3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338446
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2C)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)CO2.
What is the InChIKey of 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?
The InChIKey is PPOHOKOEMDWYKV-BVZFJXPGSA-N. The full InChI is InChI=1S/C33H33ClN6O6/c1-17-19(21-9-6-10-23(29(21)34)37-30(42)22-15-39(2)33(44)40(3)32(22)43)7-5-8-20(17)24-13-26-28(31(38-24)45-4)25(16-46-26)35-14-18-11-12-27(41)36-18/h5-10,13,15,18,25,35H,11-12,14,16H2,1-4H3,(H,36,41)(H,37,42)/t18-,25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 645.12 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167338498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).