11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one

C26H32N8O3S — CID 162432508

IUPAC11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
SMILESCC(C)n1c(=O)n(C)c2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)c(-c4cnc(N5CCOCC5)s4)c3c21
InChIInChI=1S/C26H32N8O3S/c1-15(2)34-22-17(31(5)25(34)35)11-27-23-20(22)19(18-12-28-24(38-18)32-6-8-37-9-7-32)21(30-23)16-10-29-33(13-16)14-26(3,4)36/h10-13,15,36H,6-9,14H2,1-5H3,(H,27,30)
InChIKeyNDDYKKMBZOYXHM-UHFFFAOYSA-N
MW536.66 g/mol
LogP3.39
Rot. Bonds6

About 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one

11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one (PubChem CID 162432508) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one.

Molecular Properties

Compound Name11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
PubChem CID162432508
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC Name11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
SMILESCC(C)n1c(=O)n(C)c2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)c(-c4cnc(N5CCOCC5)s4)c3c21
InChIInChI=1S/C26H32N8O3S/c1-15(2)34-22-17(31(5)25(34)35)11-27-23-20(22)19(18-12-28-24(38-18)32-6-8-37-9-7-32)21(30-23)16-10-29-33(13-16)14-26(3,4)36/h10-13,15,36H,6-9,14H2,1-5H3,(H,27,30)
InChIKeyNDDYKKMBZOYXHM-UHFFFAOYSA-N
XLogP3.39
TPSA119.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.66
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one with MolForge

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Related Compounds

7-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-3-propan-2-yl-12-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 175916466
4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
CID 170063141
6-[2-tert-butyl-6-(difluoromethyl)-5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-morpholin-4-ylbenzimidazol-2-one
CID 177184711
3-[[2-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146037988
2-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 66653436
2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
CID 46980244
1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166535069
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
4-[5-[4-chloro-6-(4-methoxyphenyl)-2-pyridinyl]-1,3-thiazol-2-yl]morpholine
CID 171470169
5-(2-methylpropyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86814620
ethyl 5-[4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrazol-1-yl]pentanoate
CID 142730896
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984

Frequently Asked Questions

What is the IUPAC name of 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one?
The IUPAC name of 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one (CID 162432508) is 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one.
What is the SMILES notation for 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one?
The canonical SMILES for 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one is CC(C)n1c(=O)n(C)c2cnc3[nH]c(-c4cnn(CC(C)(C)O)c4)c(-c4cnc(N5CCOCC5)s4)c3c21.
What is the InChIKey of 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one?
The InChIKey is NDDYKKMBZOYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-15(2)34-22-17(31(5)25(34)35)11-27-23-20(22)19(18-12-28-24(38-18)32-6-8-37-9-7-32)21(30-23)16-10-29-33(13-16)14-26(3,4)36/h10-13,15,36H,6-9,14H2,1-5H3,(H,27,30).
What are the key properties of 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one?
11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one has a molecular weight of 536.66 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-methyl-12-(2-morpholin-4-yl-1,3-thiazol-5-yl)-3-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one is sourced from PubChem (CID 162432508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).