methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C20H20N6O3 — CID 146634369

IUPACmethyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCCOc1ncc(-c2ccn(C)n2)cc1-c1cc2c(C(=O)OC)cnc(N)c2[nH]1
InChIInChI=1S/C20H20N6O3/c1-4-29-19-13(7-11(9-23-19)15-5-6-26(2)25-15)16-8-12-14(20(27)28-3)10-22-18(21)17(12)24-16/h5-10,24H,4H2,1-3H3,(H2,21,22)
InChIKeyLLTVTENCNYKSHP-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.79
Rot. Bonds5

About methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634369) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634369
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Namemethyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCCOc1ncc(-c2ccn(C)n2)cc1-c1cc2c(C(=O)OC)cnc(N)c2[nH]1
InChIInChI=1S/C20H20N6O3/c1-4-29-19-13(7-11(9-23-19)15-5-6-26(2)25-15)16-8-12-14(20(27)28-3)10-22-18(21)17(12)24-16/h5-10,24H,4H2,1-3H3,(H2,21,22)
InChIKeyLLTVTENCNYKSHP-UHFFFAOYSA-N
XLogP2.79
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634369) is methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CCOc1ncc(-c2ccn(C)n2)cc1-c1cc2c(C(=O)OC)cnc(N)c2[nH]1.
What is the InChIKey of methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is LLTVTENCNYKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-4-29-19-13(7-11(9-23-19)15-5-6-26(2)25-15)16-8-12-14(20(27)28-3)10-22-18(21)17(12)24-16/h5-10,24H,4H2,1-3H3,(H2,21,22).
What are the key properties of methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).