[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid

C27H25Cl2N7O5 — CID 154403632

IUPAC[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid
SMILESCOc1nc(N(C)C(=O)O)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
InChIInChI=1S/C27H25Cl2N7O5/c1-13(2)21-19-20(32-36(21)18-11-30-26(31-23(18)41-5)34(4)27(39)40)25(38)35(17-10-16(29)12-33(3)24(17)37)22(19)14-6-8-15(28)9-7-14/h6-13,22H,1-5H3,(H,39,40)
InChIKeyQTOUOSNXCGPHGT-UHFFFAOYSA-N
MW598.45 g/mol
LogP4.66
Rot. Bonds6

About [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid

[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid (PubChem CID 154403632) has the molecular formula C27H25Cl2N7O5 and a molecular weight of 598.45 g/mol. Its IUPAC name is [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid
PubChem CID154403632
Molecular FormulaC27H25Cl2N7O5
Molecular Weight598.45 g/mol
Exact Mass597.13
IUPAC Name[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid
SMILESCOc1nc(N(C)C(=O)O)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
InChIInChI=1S/C27H25Cl2N7O5/c1-13(2)21-19-20(32-36(21)18-11-30-26(31-23(18)41-5)34(4)27(39)40)25(38)35(17-10-16(29)12-33(3)24(17)37)22(19)14-6-8-15(28)9-7-14/h6-13,22H,1-5H3,(H,39,40)
InChIKeyQTOUOSNXCGPHGT-UHFFFAOYSA-N
XLogP4.66
TPSA135.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid with MolForge

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Related Compounds

(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71679278
4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86767050
(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137137008
methyl 5-[(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-4-deuterio-6-oxo-3-propan-2-ylpyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carboxylate
CID 171554944
6,10-dichloro-17-(2-methoxyphenyl)-4-methyl-16-propan-2-yl-1,4,17,18-tetrazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,6,8(13),9,11,15,18-heptaene-5,20-dione
CID 123592349
4-[2-[5-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]-1-(4-chlorophenyl)ethyl]-1-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 159598478
5-chloro-3-[3-[N-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-C-propan-2-ylcarbonimidoyl]-4-imino-2-(4-methylphenyl)-5-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 123937562
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 136621315
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-4-oxo-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrole-3-carbonitrile
CID 90058253
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
2-[5-(aminomethyl)-2-methoxyphenyl]-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585278
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 123448426

Frequently Asked Questions

What is the IUPAC name of [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid?
The IUPAC name of [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid (CID 154403632) is [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid.
What is the SMILES notation for [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid?
The canonical SMILES for [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid is COc1nc(N(C)C(=O)O)ncc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O.
What is the InChIKey of [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid?
The InChIKey is QTOUOSNXCGPHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N7O5/c1-13(2)21-19-20(32-36(21)18-11-30-26(31-23(18)41-5)34(4)27(39)40)25(38)35(17-10-16(29)12-33(3)24(17)37)22(19)14-6-8-15(28)9-7-14/h6-13,22H,1-5H3,(H,39,40).
What are the key properties of [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid?
[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid has a molecular weight of 598.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid is sourced from PubChem (CID 154403632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).