4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H18ClN5O — CID 135584069

IUPAC4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(CN2CCOCC2)Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C18H18ClN5O/c19-15-4-2-1-3-12(15)17-13(9-20)16(11-24-5-7-25-8-6-24)22-18-14(17)10-21-23-18/h1-4,10,17H,5-8,11H2,(H2,21,22,23)
InChIKeyLYJDKZHNYRWIKK-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.73
Rot. Bonds3

About 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584069) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584069
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(CN2CCOCC2)Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C18H18ClN5O/c19-15-4-2-1-3-12(15)17-13(9-20)16(11-24-5-7-25-8-6-24)22-18-14(17)10-21-23-18/h1-4,10,17H,5-8,11H2,(H2,21,22,23)
InChIKeyLYJDKZHNYRWIKK-UHFFFAOYSA-N
XLogP2.73
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584069) is 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(CN2CCOCC2)Nc2[nH]ncc2C1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is LYJDKZHNYRWIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-15-4-2-1-3-12(15)17-13(9-20)16(11-24-5-7-25-8-6-24)22-18-14(17)10-21-23-18/h1-4,10,17H,5-8,11H2,(H2,21,22,23).
What are the key properties of 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 355.83 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).