[9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

Name: [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C62H89N13O7S3 — CID 158019665

IUPAC[9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

SMILESCc1cc(C)n(CCCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)n1.Cc1ccc(C(C)CCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)o1.Cc1nc(C(=O)N2CCOC3(CCN(CCCn4cccn4)CC3)C2)cs1

InChIInChI=1S/C22H31N3O3S.C21H31N5O2S.C19H27N5O2S/c1-16(20-5-4-17(2)28-20)6-9-24-10-7-22(8-11-24)15-25(12-13-27-22)21(26)19-14-29-18(3)23-19;1-16-13-17(2)26(23-16)8-4-7-24-9-5-21(6-10-24)15-25(11-12-28-21)20(27)19-14-29-18(3)22-19;1-16-21-17(14-27-16)18(25)23-12-13-26-19(15-23)4-10-22(11-5-19)7-3-9-24-8-2-6-20-24/h4-5,14,16H,6-13,15H2,1-3H3;13-14H,4-12,15H2,1-3H3;2,6,8,14H,3-5,7,9-13,15H2,1H3

InChIKeyFFXDQMVHHSZYNC-UHFFFAOYSA-N

MW1224.68 g/mol

LogP8.56

Rot. Bonds15

About [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

[9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 158019665) has the molecular formula C62H89N13O7S3 and a molecular weight of 1224.68 g/mol. Its IUPAC name is [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name	[9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID	158019665
Molecular Formula	C62H89N13O7S3
Molecular Weight	1224.68 g/mol
Exact Mass	1223.62
IUPAC Name	[9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILES	Cc1cc(C)n(CCCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)n1.Cc1ccc(C(C)CCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)o1.Cc1nc(C(=O)N2CCOC3(CCN(CCCn4cccn4)CC3)C2)cs1
InChI	InChI=1S/C22H31N3O3S.C21H31N5O2S.C19H27N5O2S/c1-16(20-5-4-17(2)28-20)6-9-24-10-7-22(8-11-24)15-25(12-13-27-22)21(26)19-14-29-18(3)23-19;1-16-13-17(2)26(23-16)8-4-7-24-9-5-21(6-10-24)15-25(11-12-28-21)20(27)19-14-29-18(3)22-19;1-16-21-17(14-27-16)18(25)23-12-13-26-19(15-23)4-10-22(11-5-19)7-3-9-24-8-2-6-20-24/h4-5,14,16H,6-13,15H2,1-3H3;13-14H,4-12,15H2,1-3H3;2,6,8,14H,3-5,7,9-13,15H2,1H3
InChIKey	FFXDQMVHHSZYNC-UHFFFAOYSA-N
XLogP	8.56
TPSA	185.79 Å²
H-Bond Donors
H-Bond Acceptors	20
Rotatable Bonds	15
Heavy Atoms	85
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.68
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Analyze [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?

The IUPAC name of [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 158019665) is [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

What is the SMILES notation for [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?

The canonical SMILES for [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is Cc1cc(C)n(CCCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)n1.Cc1ccc(C(C)CCN2CCC3(CC2)CN(C(=O)c2csc(C)n2)CCO3)o1.Cc1nc(C(=O)N2CCOC3(CCN(CCCn4cccn4)CC3)C2)cs1.

What is the InChIKey of [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?

The InChIKey is FFXDQMVHHSZYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S.C21H31N5O2S.C19H27N5O2S/c1-16(20-5-4-17(2)28-20)6-9-24-10-7-22(8-11-24)15-25(12-13-27-22)21(26)19-14-29-18(3)23-19;1-16-13-17(2)26(23-16)8-4-7-24-9-5-21(6-10-24)15-25(11-12-28-21)20(27)19-14-29-18(3)22-19;1-16-21-17(14-27-16)18(25)23-12-13-26-19(15-23)4-10-22(11-5-19)7-3-9-24-8-2-6-20-24/h4-5,14,16H,6-13,15H2,1-3H3;13-14H,4-12,15H2,1-3H3;2,6,8,14H,3-5,7,9-13,15H2,1H3.

What are the key properties of [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?

Where does this data come from?

All data for [9-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 158019665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).