9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol

C32H46N6O4Si — CID 174075030

IUPAC9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol
SMILESC[C@@H]1COCCN1c1cc(C#CC2(O)CCC3(CCOCC3)CC2)c2cnn(-c3ccnn3COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C32H46N6O4Si/c1-25-23-41-18-15-36(25)28-21-26(5-7-32(39)10-8-31(9-11-32)12-16-40-17-13-31)27-22-34-38(30(27)35-28)29-6-14-33-37(29)24-42-19-20-43(2,3)4/h6,14,21-22,25,39H,8-13,15-20,23-24H2,1-4H3/t25-/m1/s1
InChIKeyLQVNGRGPRSUCQD-RUZDIDTESA-N
MW606.84 g/mol
LogP4.61
Rot. Bonds7

About 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol

9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol (PubChem CID 174075030) has the molecular formula C32H46N6O4Si and a molecular weight of 606.84 g/mol. Its IUPAC name is 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol
PubChem CID174075030
Molecular FormulaC32H46N6O4Si
Molecular Weight606.84 g/mol
Exact Mass606.33
IUPAC Name9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol
SMILESC[C@@H]1COCCN1c1cc(C#CC2(O)CCC3(CCOCC3)CC2)c2cnn(-c3ccnn3COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C32H46N6O4Si/c1-25-23-41-18-15-36(25)28-21-26(5-7-32(39)10-8-31(9-11-32)12-16-40-17-13-31)27-22-34-38(30(27)35-28)29-6-14-33-37(29)24-42-19-20-43(2,3)4/h6,14,21-22,25,39H,8-13,15-20,23-24H2,1-4H3/t25-/m1/s1
InChIKeyLQVNGRGPRSUCQD-RUZDIDTESA-N
XLogP4.61
TPSA99.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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
(3R)-4-[4-(3-isocyano-3-methylbut-1-ynyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
CID 176647491
1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea
CID 175908749
trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 170680002
2-[5-hydroxy-2-methyl-5-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexyl]acetonitrile
CID 166092115
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
[7-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]spiro[3.5]nonan-8-yl]methanol
CID 155585683
trimethyl-[2-[[3-methyl-5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2H-triazol-4-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 175910779
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol
CID 176647653
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
4-[2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]ethynyl]-1,1-dioxothian-4-ol
CID 176647796

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol?
The IUPAC name of 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol (CID 174075030) is 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol?
The canonical SMILES for 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol is C[C@@H]1COCCN1c1cc(C#CC2(O)CCC3(CCOCC3)CC2)c2cnn(-c3ccnn3COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol?
The InChIKey is LQVNGRGPRSUCQD-RUZDIDTESA-N. The full InChI is InChI=1S/C32H46N6O4Si/c1-25-23-41-18-15-36(25)28-21-26(5-7-32(39)10-8-31(9-11-32)12-16-40-17-13-31)27-22-34-38(30(27)35-28)29-6-14-33-37(29)24-42-19-20-43(2,3)4/h6,14,21-22,25,39H,8-13,15-20,23-24H2,1-4H3/t25-/m1/s1.
What are the key properties of 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol?
9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol has a molecular weight of 606.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 174075030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).