methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate

C23H25N5O5 — CID 129272503

IUPACmethyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOCCOc1cnccc1-c1c(Nc2ccccc2)c2c(n1N)CN(C(=O)OC)CC2=O
InChIInChI=1S/C23H25N5O5/c1-31-10-11-33-19-12-25-9-8-16(19)22-21(26-15-6-4-3-5-7-15)20-17(28(22)24)13-27(14-18(20)29)23(30)32-2/h3-9,12,26H,10-11,13-14,24H2,1-2H3
InChIKeyKPXUBQBBMGEWKV-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.80
Rot. Bonds7

About methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate

methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate (PubChem CID 129272503) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
PubChem CID129272503
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Namemethyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOCCOc1cnccc1-c1c(Nc2ccccc2)c2c(n1N)CN(C(=O)OC)CC2=O
InChIInChI=1S/C23H25N5O5/c1-31-10-11-33-19-12-25-9-8-16(19)22-21(26-15-6-4-3-5-7-15)20-17(28(22)24)13-27(14-18(20)29)23(30)32-2/h3-9,12,26H,10-11,13-14,24H2,1-2H3
InChIKeyKPXUBQBBMGEWKV-UHFFFAOYSA-N
XLogP2.80
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 129272828
2-[3-(2-methoxyethoxy)-4-pyridinyl]-N-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 129246649
methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 159503468
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
CID 134575266
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfinyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 162605846
tert-butyl 1-amino-2-[2-(aminodiazenyl)-1,2-dihydropyridin-4-yl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 129272398
3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 134563196
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-[2-(2,2-difluoroethyl)anilino]-2-[3-(2-methoxyethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566526
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
CID 129246644
6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one
CID 129272532

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate (CID 129272503) is methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is COCCOc1cnccc1-c1c(Nc2ccccc2)c2c(n1N)CN(C(=O)OC)CC2=O.
What is the InChIKey of methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The InChIKey is KPXUBQBBMGEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-31-10-11-33-19-12-25-9-8-16(19)22-21(26-15-6-4-3-5-7-15)20-17(28(22)24)13-27(14-18(20)29)23(30)32-2/h3-9,12,26H,10-11,13-14,24H2,1-2H3.
What are the key properties of methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate has a molecular weight of 451.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-anilino-2-[3-(2-methoxyethoxy)-4-pyridinyl]-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 129272503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).