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

C13H13N5O2 — CID 70866181

IUPACmethyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NCc3ccn[nH]3)cnc2[nH]1
InChIInChI=1S/C13H13N5O2/c1-20-13(19)11-5-8-4-10(7-15-12(8)17-11)14-6-9-2-3-16-18-9/h2-5,7,14H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyYABPBMZTKLWFAM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.68
Rot. Bonds4

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

methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 70866181) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID70866181
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Namemethyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(NCc3ccn[nH]3)cnc2[nH]1
InChIInChI=1S/C13H13N5O2/c1-20-13(19)11-5-8-4-10(7-15-12(8)17-11)14-6-9-2-3-16-18-9/h2-5,7,14H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyYABPBMZTKLWFAM-UHFFFAOYSA-N
XLogP1.68
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 70866181) is methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(NCc3ccn[nH]3)cnc2[nH]1.
What is the InChIKey of methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is YABPBMZTKLWFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-20-13(19)11-5-8-4-10(7-15-12(8)17-11)14-6-9-2-3-16-18-9/h2-5,7,14H,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1H-pyrazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 70866181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).