(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C27H34N4O4 — CID 3865072

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC4(CC3)CCN(C(=O)c3cc(C(C)(C)C)nn3C)C4)oc12
InChIInChI=1S/C27H34N4O4/c1-26(2,3)22-16-19(29(4)28-22)24(32)31-14-11-27(17-31)9-12-30(13-10-27)25(33)21-15-18-7-6-8-20(34-5)23(18)35-21/h6-8,15-16H,9-14,17H2,1-5H3
InChIKeyFPQOPTXVTVXPJW-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.24
Rot. Bonds3

About (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 3865072) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID3865072
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC4(CC3)CCN(C(=O)c3cc(C(C)(C)C)nn3C)C4)oc12
InChIInChI=1S/C27H34N4O4/c1-26(2,3)22-16-19(29(4)28-22)24(32)31-14-11-27(17-31)9-12-30(13-10-27)25(33)21-15-18-7-6-8-20(34-5)23(18)35-21/h6-8,15-16H,9-14,17H2,1-5H3
InChIKeyFPQOPTXVTVXPJW-UHFFFAOYSA-N
XLogP4.24
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3763825
methyl 2-[[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3667586
but-2-ynyl 8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3850826
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
N-[(2S)-1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74228605
N-[2-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 3436863
ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3759569
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
1-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone
CID 3484806
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533621

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 3865072) is (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is COc1cccc2cc(C(=O)N3CCC4(CC3)CCN(C(=O)c3cc(C(C)(C)C)nn3C)C4)oc12.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is FPQOPTXVTVXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-26(2,3)22-16-19(29(4)28-22)24(32)31-14-11-27(17-31)9-12-30(13-10-27)25(33)21-15-18-7-6-8-20(34-5)23(18)35-21/h6-8,15-16H,9-14,17H2,1-5H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 478.59 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 3865072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).