ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

C14H13BrN4O2 — CID 86706316

IUPACethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCCOC(=O)n1c(-c2cnn(C)c2)cc2cnc(Br)cc21
InChIInChI=1S/C14H13BrN4O2/c1-3-21-14(20)19-11(10-7-17-18(2)8-10)4-9-6-16-13(15)5-12(9)19/h4-8H,3H2,1-2H3
InChIKeyLQQZNUMXTAYKIV-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.20
Rot. Bonds2

About ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 86706316) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID86706316
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Nameethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCCOC(=O)n1c(-c2cnn(C)c2)cc2cnc(Br)cc21
InChIInChI=1S/C14H13BrN4O2/c1-3-21-14(20)19-11(10-7-17-18(2)8-10)4-9-6-16-13(15)5-12(9)19/h4-8H,3H2,1-2H3
InChIKeyLQQZNUMXTAYKIV-UHFFFAOYSA-N
XLogP3.20
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(1-methylpyrazol-4-yl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
CID 86706275
tert-butyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 121419241
tert-butyl 6-(2-acetylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548459
propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66546349
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 6-bromo-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 1484098
propan-2-yl 6-[4-[(Z)-2-amino-1-[amino(methyl)amino]ethenyl]-2-methoxyanilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 139516124
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641
tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548457
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 1-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)pyrazole-3-carboxylate
CID 122522198

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (CID 86706316) is ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is CCOC(=O)n1c(-c2cnn(C)c2)cc2cnc(Br)cc21.
What is the InChIKey of ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is LQQZNUMXTAYKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-3-21-14(20)19-11(10-7-17-18(2)8-10)4-9-6-16-13(15)5-12(9)19/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 349.19 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 86706316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).