1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C23H30N6 — CID 72934730

IUPAC1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cn[nH]c1-c1ccccc1)CC2
InChIInChI=1S/C23H30N6/c1-2-11-29-12-8-20-22(25-17-24-20)23(29)9-13-28(14-10-23)16-19-15-26-27-21(19)18-6-4-3-5-7-18/h3-7,15,17H,2,8-14,16H2,1H3,(H,24,25)(H,26,27)
InChIKeyOWSRVTYUMJTLHO-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.56
Rot. Bonds5

About 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72934730) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72934730
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCN1CCc2[nH]cnc2C12CCN(Cc1cn[nH]c1-c1ccccc1)CC2
InChIInChI=1S/C23H30N6/c1-2-11-29-12-8-20-22(25-17-24-20)23(29)9-13-28(14-10-23)16-19-15-26-27-21(19)18-6-4-3-5-7-18/h3-7,15,17H,2,8-14,16H2,1H3,(H,24,25)(H,26,27)
InChIKeyOWSRVTYUMJTLHO-UHFFFAOYSA-N
XLogP3.56
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
CID 72920667
5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72866458
1'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72871590
5-butyl-1'-[(1-ethyl-5-methylpyrazol-4-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72931768
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-propyl-1,4-diazepan-5-one
CID 42169864
3-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-5-phenyl-1,2,4-oxadiazole
CID 72879264
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
1-methyl-3-(2-phenylethyl)-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136085
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794
1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72908241

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72934730) is 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCN1CCc2[nH]cnc2C12CCN(Cc1cn[nH]c1-c1ccccc1)CC2.
What is the InChIKey of 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is OWSRVTYUMJTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-2-11-29-12-8-20-22(25-17-24-20)23(29)9-13-28(14-10-23)16-19-15-26-27-21(19)18-6-4-3-5-7-18/h3-7,15,17H,2,8-14,16H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 390.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72934730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).