2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

C22H24N4O2 — CID 155349574

IUPAC2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1CNC1CC1
InChIInChI=1S/C22H24N4O2/c1-22(2,13-23)15-4-7-19-17(11-25-26(19)12-15)14-8-20(27)18(21(9-14)28-3)10-24-16-5-6-16/h4,7-9,11-12,16,24,27H,5-6,10H2,1-3H3
InChIKeyMXXPWJGDGWQFCH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (PubChem CID 155349574) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
PubChem CID155349574
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1CNC1CC1
InChIInChI=1S/C22H24N4O2/c1-22(2,13-23)15-4-7-19-17(11-25-26(19)12-15)14-8-20(27)18(21(9-14)28-3)10-24-16-5-6-16/h4,7-9,11-12,16,24,27H,5-6,10H2,1-3H3
InChIKeyMXXPWJGDGWQFCH-UHFFFAOYSA-N
XLogP3.77
TPSA82.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (CID 155349574) is 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(O)c1CNC1CC1.
What is the InChIKey of 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The InChIKey is MXXPWJGDGWQFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,13-23)15-4-7-19-17(11-25-26(19)12-15)14-8-20(27)18(21(9-14)28-3)10-24-16-5-6-16/h4,7-9,11-12,16,24,27H,5-6,10H2,1-3H3.
What are the key properties of 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile has a molecular weight of 376.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(cyclopropylamino)methyl]-3-hydroxy-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is sourced from PubChem (CID 155349574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).