6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

C23H29N5O2 — CID 146046857

IUPAC6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCCn1cc(COc2ccc3c(c2)CCOC32CCN(Cc3ncc[nH]3)CC2)cn1
InChIInChI=1S/C23H29N5O2/c1-2-28-15-18(14-26-28)17-29-20-3-4-21-19(13-20)5-12-30-23(21)6-10-27(11-7-23)16-22-24-8-9-25-22/h3-4,8-9,13-15H,2,5-7,10-12,16-17H2,1H3,(H,24,25)
InChIKeyBZDRQNCPPPJDRK-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.27
Rot. Bonds6

About 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 146046857) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID146046857
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCCn1cc(COc2ccc3c(c2)CCOC32CCN(Cc3ncc[nH]3)CC2)cn1
InChIInChI=1S/C23H29N5O2/c1-2-28-15-18(14-26-28)17-29-20-3-4-21-19(13-20)5-12-30-23(21)6-10-27(11-7-23)16-22-24-8-9-25-22/h3-4,8-9,13-15H,2,5-7,10-12,16-17H2,1H3,(H,24,25)
InChIKeyBZDRQNCPPPJDRK-UHFFFAOYSA-N
XLogP3.27
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163306429
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
2-[6-[(3-ethylimidazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl]acetic acid;formic acid
CID 171321557
4-[(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-2-methyl-1H-pyrimidin-6-one
CID 163313269
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
CID 146046991
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 135103863
6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146041352
acetic acid;1'-(3-pyrazol-1-ylpropyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163333494
6-[(4-fluoro-3-methylphenyl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
CID 154919619
1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 146046857) is 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is CCn1cc(COc2ccc3c(c2)CCOC32CCN(Cc3ncc[nH]3)CC2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is BZDRQNCPPPJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-28-15-18(14-26-28)17-29-20-3-4-21-19(13-20)5-12-30-23(21)6-10-27(11-7-23)16-22-24-8-9-25-22/h3-4,8-9,13-15H,2,5-7,10-12,16-17H2,1H3,(H,24,25).
What are the key properties of 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 407.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 146046857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).