N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C17H20N6O2 — CID 91041581

IUPACN-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1
InChIInChI=1S/C17H20N6O2/c1-22-7-5-11(10-22)25-15-4-3-13-16(20-15)12(9-18-13)17(24)19-14-6-8-23(2)21-14/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3,(H,19,21,24)
InChIKeyLQUMAELYDSSTOP-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.63
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 91041581) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID91041581
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1
InChIInChI=1S/C17H20N6O2/c1-22-7-5-11(10-22)25-15-4-3-13-16(20-15)12(9-18-13)17(24)19-14-6-8-23(2)21-14/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3,(H,19,21,24)
InChIKeyLQUMAELYDSSTOP-UHFFFAOYSA-N
XLogP1.63
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 91041581) is N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is LQUMAELYDSSTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22-7-5-11(10-22)25-15-4-3-13-16(20-15)12(9-18-13)17(24)19-14-6-8-23(2)21-14/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3,(H,19,21,24).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 91041581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).