methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate

C26H25N5O3 — CID 146012494

IUPACmethyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2c3c(n(Cc4cc(C)nn4C)c2-c2ccncc2)CCNC3=O)c1
InChIInChI=1S/C26H25N5O3/c1-16-13-20(30(2)29-16)15-31-21-9-12-28-25(32)23(21)22(24(31)17-7-10-27-11-8-17)18-5-4-6-19(14-18)26(33)34-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,28,32)
InChIKeyAQXYBWFCWQAXNZ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.38
Rot. Bonds5

About methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate

methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate (PubChem CID 146012494) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate
PubChem CID146012494
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Namemethyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2c3c(n(Cc4cc(C)nn4C)c2-c2ccncc2)CCNC3=O)c1
InChIInChI=1S/C26H25N5O3/c1-16-13-20(30(2)29-16)15-31-21-9-12-28-25(32)23(21)22(24(31)17-7-10-27-11-8-17)18-5-4-6-19(14-18)26(33)34-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,28,32)
InChIKeyAQXYBWFCWQAXNZ-UHFFFAOYSA-N
XLogP3.38
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate with MolForge

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Related Compounds

CID 11508699
CID 11508699
CID 45377564
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CID 141736374
CID 141736374
CID 89927732
CID 89927732
CID 89927890
CID 89927890
CID 137377404
CID 137377404
CID 3185081
CID 3185081
CID 44180167
CID 44180167
CID 155529339
CID 155529339
CID 118933253
CID 118933253
CID 68350428
CID 68350428
CID 89927790
CID 89927790

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate?
The IUPAC name of methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate (CID 146012494) is methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate.
What is the SMILES notation for methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate?
The canonical SMILES for methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate is COC(=O)c1cccc(-c2c3c(n(Cc4cc(C)nn4C)c2-c2ccncc2)CCNC3=O)c1.
What is the InChIKey of methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate?
The InChIKey is AQXYBWFCWQAXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-16-13-20(30(2)29-16)15-31-21-9-12-28-25(32)23(21)22(24(31)17-7-10-27-11-8-17)18-5-4-6-19(14-18)26(33)34-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,28,32).
What are the key properties of methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate?
methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate has a molecular weight of 455.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-3-yl]benzoate is sourced from PubChem (CID 146012494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).