cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate

C22H23N3O4 — CID 170238276

IUPACcis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccc(C)cc3OC)n(C)c2cn1
InChIInChI=1S/C22H23N3O4/c1-12-5-6-14(19(7-12)28-3)17-8-13-9-20(23-11-18(13)25(17)2)24-21(26)15-10-16(15)22(27)29-4/h5-9,11,15-16H,10H2,1-4H3,(H,23,24,26)/t15-,16+/m0/s1
InChIKeyOMLWCPXKYCXQPF-JKSUJKDBSA-N
MW393.44 g/mol
LogP3.30
Rot. Bonds5

About cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 170238276) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID170238276
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namecis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccc(C)cc3OC)n(C)c2cn1
InChIInChI=1S/C22H23N3O4/c1-12-5-6-14(19(7-12)28-3)17-8-13-9-20(23-11-18(13)25(17)2)24-21(26)15-10-16(15)22(27)29-4/h5-9,11,15-16H,10H2,1-4H3,(H,23,24,26)/t15-,16+/m0/s1
InChIKeyOMLWCPXKYCXQPF-JKSUJKDBSA-N
XLogP3.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate 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

cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252451
2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 175469618
2-fluoro-N-[2-(7-methoxyindolizin-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170254808
cis-(1S,2S)-2-fluoro-N-[2-(6-methoxy-1H-isoindol-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170233163
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292
cis-(1S,2S)-N-[2-(3,5-dimethoxypyridazin-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167023260
2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252352
cis-(1R,2R)-N-[2-(2,4-dimethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-formylcyclopropane-1-carboxamide
CID 167374781
N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 170233143
2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731
N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252255
cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate (CID 170238276) is cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccc(C)cc3OC)n(C)c2cn1.
What is the InChIKey of cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is OMLWCPXKYCXQPF-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-12-5-6-14(19(7-12)28-3)17-8-13-9-20(23-11-18(13)25(17)2)24-21(26)15-10-16(15)22(27)29-4/h5-9,11,15-16H,10H2,1-4H3,(H,23,24,26)/t15-,16+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 170238276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).