methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate

C25H25N3O4 — CID 159503468

IUPACmethyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Cc2ccccc2)C1
InChIInChI=1S/C25H25N3O4/c1-31-25(30)28-13-20-23(21(29)14-28)19(11-16-5-3-2-4-6-16)24(27-20)18-9-10-26-12-22(18)32-15-17-7-8-17/h2-6,9-10,12,17,27H,7-8,11,13-15H2,1H3
InChIKeyLZRJIFQNOAVWFV-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.22
Rot. Bonds6

About methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate

methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate (PubChem CID 159503468) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
PubChem CID159503468
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Namemethyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Cc2ccccc2)C1
InChIInChI=1S/C25H25N3O4/c1-31-25(30)28-13-20-23(21(29)14-28)19(11-16-5-3-2-4-6-16)24(27-20)18-9-10-26-12-22(18)32-15-17-7-8-17/h2-6,9-10,12,17,27H,7-8,11,13-15H2,1H3
InChIKeyLZRJIFQNOAVWFV-UHFFFAOYSA-N
XLogP4.22
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 148749410
3-benzyl-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 158794747
methyl 3-anilino-4-oxo-2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246424
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246401
3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 159896683
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582015
methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 129272503
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246903
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
benzyl (3R)-3-[[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-7-(3-oxopropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 178035304

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate (CID 159503468) is methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate is COC(=O)N1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Cc2ccccc2)C1.
What is the InChIKey of methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate?
The InChIKey is LZRJIFQNOAVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-25(30)28-13-20-23(21(29)14-28)19(11-16-5-3-2-4-6-16)24(27-20)18-9-10-26-12-22(18)32-15-17-7-8-17/h2-6,9-10,12,17,27H,7-8,11,13-15H2,1H3.
What are the key properties of methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate?
methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 159503468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).