methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C19H18N4O3 — CID 110204325

IUPACmethyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc3c2ccn3C(C)C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O3/c1-11(2)23-8-7-12-15(5-4-6-16(12)23)22-9-13-17(20-21-18(13)24)14(10-22)19(25)26-3/h4-11H,1-3H3,(H,21,24)
InChIKeyOQIQXFPZHHGOAJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110204325) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110204325
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc3c2ccn3C(C)C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H18N4O3/c1-11(2)23-8-7-12-15(5-4-6-16(12)23)22-9-13-17(20-21-18(13)24)14(10-22)19(25)26-3/h4-11H,1-3H3,(H,21,24)
InChIKeyOQIQXFPZHHGOAJ-UHFFFAOYSA-N
XLogP2.99
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110204325) is methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2cccc3c2ccn3C(C)C)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is OQIQXFPZHHGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11(2)23-8-7-12-15(5-4-6-16(12)23)22-9-13-17(20-21-18(13)24)14(10-22)19(25)26-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110204325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).