trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane

C29H45N7O4SSi — CID 168878190

IUPACtrimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C29H45N7O4SSi/c1-22-20-38-14-12-34(22)25-19-23(33-41(37)16-7-8-17-41)29-28(31-25)27(32-35(29)21-39-15-18-42(2,3)4)24-10-11-30-36(24)26-9-5-6-13-40-26/h10-11,19,22,26H,5-9,12-18,20-21H2,1-4H3/t22-,26?/m1/s1
InChIKeyXOJQBSCNXNJMGP-FPSALIRRSA-N
MW615.88 g/mol
LogP5.42
Rot. Bonds9

About trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 168878190) has the molecular formula C29H45N7O4SSi and a molecular weight of 615.88 g/mol. Its IUPAC name is trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID168878190
Molecular FormulaC29H45N7O4SSi
Molecular Weight615.88 g/mol
Exact Mass615.30
IUPAC Nametrimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C29H45N7O4SSi/c1-22-20-38-14-12-34(22)25-19-23(33-41(37)16-7-8-17-41)29-28(31-25)27(32-35(29)21-39-15-18-42(2,3)4)24-10-11-30-36(24)26-9-5-6-13-40-26/h10-11,19,22,26H,5-9,12-18,20-21H2,1-4H3/t22-,26?/m1/s1
InChIKeyXOJQBSCNXNJMGP-FPSALIRRSA-N
XLogP5.42
TPSA108.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500615.88
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020263
4-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,5-b]pyridin-7-yl]-3,6-dihydro-2H-thiopyran 1-oxide
CID 156579435
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 168921681
trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[(6-methyl-2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)amino]pyrazolo[5,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 176598594
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446334
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane (CID 168878190) is trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane is C[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)c2c(n1)c(-c1ccnn1C1CCCCO1)nn2COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is XOJQBSCNXNJMGP-FPSALIRRSA-N. The full InChI is InChI=1S/C29H45N7O4SSi/c1-22-20-38-14-12-34(22)25-19-23(33-41(37)16-7-8-17-41)29-28(31-25)27(32-35(29)21-39-15-18-42(2,3)4)24-10-11-30-36(24)26-9-5-6-13-40-26/h10-11,19,22,26H,5-9,12-18,20-21H2,1-4H3/t22-,26?/m1/s1.
What are the key properties of trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 615.88 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 168878190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).