azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C22H26N4O — CID 9396827

IUPACazepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H26N4O/c1-16(2)26-21-19(15-23-26)18(22(27)25-12-8-3-4-9-13-25)14-20(24-21)17-10-6-5-7-11-17/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3
InChIKeyVWSXZEHWKOYQFU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.70
Rot. Bonds3

About azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 9396827) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID9396827
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Nameazepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H26N4O/c1-16(2)26-21-19(15-23-26)18(22(27)25-12-8-3-4-9-13-25)14-20(24-21)17-10-6-5-7-11-17/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3
InChIKeyVWSXZEHWKOYQFU-UHFFFAOYSA-N
XLogP4.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Jqez5
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example 13 [WO2015132799A2]
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[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
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N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
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PDE2 inhibitor 6
CID 129120905
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
CU-CPT-8m
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B-Raf IN 1
CID 24884503
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 9396827) is azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is CC(C)n1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc21.
What is the InChIKey of azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is VWSXZEHWKOYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)26-21-19(15-23-26)18(22(27)25-12-8-3-4-9-13-25)14-20(24-21)17-10-6-5-7-11-17/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 9396827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).