methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C18H14N4O3 — CID 70866060

IUPACmethyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C18H14N4O3/c1-25-18(24)15-8-12-7-13(9-20-16(12)22-15)21-17(23)11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,22)(H,21,23)
InChIKeyKXJQXFXXPCNCQU-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.08
Rot. Bonds3

About methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 70866060) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID70866060
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Namemethyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C18H14N4O3/c1-25-18(24)15-8-12-7-13(9-20-16(12)22-15)21-17(23)11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,22)(H,21,23)
InChIKeyKXJQXFXXPCNCQU-UHFFFAOYSA-N
XLogP3.08
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 70866060) is methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(NC(=O)c3ccc4[nH]ccc4c3)cnc2[nH]1.
What is the InChIKey of methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is KXJQXFXXPCNCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-25-18(24)15-8-12-7-13(9-20-16(12)22-15)21-17(23)11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 334.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1H-indole-5-carbonylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 70866060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).