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

C21H21N7O4 — CID 129272828

IUPACmethyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(N(N)C=O)c3)n(N)c2C1
InChIInChI=1S/C21H21N7O4/c1-32-21(31)26-10-15-18(16(30)11-26)19(25-14-5-3-2-4-6-14)20(28(15)23)13-7-8-24-17(9-13)27(22)12-29/h2-9,12,25H,10-11,22-23H2,1H3
InChIKeyMIFGHFRONCWEAR-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.61
Rot. Bonds5

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

methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate (PubChem CID 129272828) has the molecular formula C21H21N7O4 and a molecular weight of 435.44 g/mol. Its IUPAC name is methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
PubChem CID129272828
Molecular FormulaC21H21N7O4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Namemethyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(N(N)C=O)c3)n(N)c2C1
InChIInChI=1S/C21H21N7O4/c1-32-21(31)26-10-15-18(16(30)11-26)19(25-14-5-3-2-4-6-14)20(28(15)23)13-7-8-24-17(9-13)27(22)12-29/h2-9,12,25H,10-11,22-23H2,1H3
InChIKeyMIFGHFRONCWEAR-UHFFFAOYSA-N
XLogP1.61
TPSA148.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

CID 118341435
CID 118341435
CID 155286729
CID 155286729
CID 155286743
CID 155286743
CID 155286745
CID 155286745
CID 155286790
CID 155286790
CID 155286817
CID 155286817
CID 155286826
CID 155286826
CID 155286835
CID 155286835
CID 155307166
CID 155307166
CID 155307176
CID 155307176
CID 155307487
CID 155307487
CID 155307524
CID 155307524

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 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) is methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is COC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(N(N)C=O)c3)n(N)c2C1.
What is the InChIKey of methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
The InChIKey is MIFGHFRONCWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O4/c1-32-21(31)26-10-15-18(16(30)11-26)19(25-14-5-3-2-4-6-14)20(28(15)23)13-7-8-24-17(9-13)27(22)12-29/h2-9,12,25H,10-11,22-23H2,1H3.
What are the key properties of methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate?
methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate has a molecular weight of 435.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-[amino(formyl)amino]-4-pyridinyl]-3-anilino-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 129272828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).