2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone

C16H21N5O — CID 138024259

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone
SMILESCc1c(CC(=O)N2CCc3[nH]cnc3C23CCC3)cnn1C
InChIInChI=1S/C16H21N5O/c1-11-12(9-19-20(11)2)8-14(22)21-7-4-13-15(18-10-17-13)16(21)5-3-6-16/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyADLVHADXVPATAP-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.46
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone

2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone (PubChem CID 138024259) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone
PubChem CID138024259
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone
SMILESCc1c(CC(=O)N2CCc3[nH]cnc3C23CCC3)cnn1C
InChIInChI=1S/C16H21N5O/c1-11-12(9-19-20(11)2)8-14(22)21-7-4-13-15(18-10-17-13)16(21)5-3-6-16/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyADLVHADXVPATAP-UHFFFAOYSA-N
XLogP1.46
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone (CID 138024259) is 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone is Cc1c(CC(=O)N2CCc3[nH]cnc3C23CCC3)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone?
The InChIKey is ADLVHADXVPATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-12(9-19-20(11)2)8-14(22)21-7-4-13-15(18-10-17-13)16(21)5-3-6-16/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone?
2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone has a molecular weight of 299.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylethanone is sourced from PubChem (CID 138024259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).