4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C17H15N5O — CID 135583736

IUPAC4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2cccc3nocc23)c2cn[nH]c2N1
InChIInChI=1S/C17H15N5O/c1-2-4-14-11(7-18)16(12-8-19-21-17(12)20-14)10-5-3-6-15-13(10)9-23-22-15/h3,5-6,8-9,16H,2,4H2,1H3,(H2,19,20,21)
InChIKeyAGHRNHHHXNYXOJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.69
Rot. Bonds3

About 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583736) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583736
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2cccc3nocc23)c2cn[nH]c2N1
InChIInChI=1S/C17H15N5O/c1-2-4-14-11(7-18)16(12-8-19-21-17(12)20-14)10-5-3-6-15-13(10)9-23-22-15/h3,5-6,8-9,16H,2,4H2,1H3,(H2,19,20,21)
InChIKeyAGHRNHHHXNYXOJ-UHFFFAOYSA-N
XLogP3.69
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromophenyl)-6-ethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583990
4-(2,1,3-benzoxadiazol-4-yl)-6-(1H-indol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584079
4-(5-isocyano-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzothiadiazole
CID 135617646
ethyl 6-propyl-4-quinolin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584144
4-(2-chlorophenyl)-6-(morpholin-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584069
ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135583783
tert-butyl N-[[4-(2-bromo-3-cyanophenyl)-5-cyano-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-6-yl]methyl]-N-methylcarbamate
CID 135584108
5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 135617567
2-bromo-3-(6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 141073489
4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584009
4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583824
4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584171

Frequently Asked Questions

What is the IUPAC name of 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583736) is 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CCCC1=C(C#N)C(c2cccc3nocc23)c2cn[nH]c2N1.
What is the InChIKey of 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is AGHRNHHHXNYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-4-14-11(7-18)16(12-8-19-21-17(12)20-14)10-5-3-6-15-13(10)9-23-22-15/h3,5-6,8-9,16H,2,4H2,1H3,(H2,19,20,21).
What are the key properties of 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1-benzoxazol-4-yl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).