4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one

C24H20F3N5O2S — CID 176975509

IUPAC4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one
SMILESO=C1N(Cc2nc(C(F)(F)F)cs2)c2ccccc2C12CCC(Oc1cnc3[nH]ncc3c1)CC2
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)19-13-35-20(30-19)12-32-18-4-2-1-3-17(18)23(22(32)33)7-5-15(6-8-23)34-16-9-14-10-29-31-21(14)28-11-16/h1-4,9-11,13,15H,5-8,12H2,(H,28,29,31)
InChIKeyGORQFCAKBUIFHY-UHFFFAOYSA-N
MW499.52 g/mol
LogP5.24
Rot. Bonds4

About 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one

4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 176975509) has the molecular formula C24H20F3N5O2S and a molecular weight of 499.52 g/mol. Its IUPAC name is 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one
PubChem CID176975509
Molecular FormulaC24H20F3N5O2S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one
SMILESO=C1N(Cc2nc(C(F)(F)F)cs2)c2ccccc2C12CCC(Oc1cnc3[nH]ncc3c1)CC2
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)19-13-35-20(30-19)12-32-18-4-2-1-3-17(18)23(22(32)33)7-5-15(6-8-23)34-16-9-14-10-29-31-21(14)28-11-16/h1-4,9-11,13,15H,5-8,12H2,(H,28,29,31)
InChIKeyGORQFCAKBUIFHY-UHFFFAOYSA-N
XLogP5.24
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[2-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2-oxoethyl]-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-indole]-2'-one
CID 176975603
tert-butyl N-[3,3-difluoro-1-[[[2-[2'-oxo-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-indole]-1'-yl]acetyl]amino]methyl]cyclobutyl]carbamate
CID 176975078
5'-chloro-1'-[2-[(2S)-2-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 176975188
2-[4'-bromo-4-(1H-indazol-5-yloxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975407
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
CID 46195988
1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97400100
2-[(3S)-3-methyl-2-oxo-3-[3-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)pentyl]indol-1-yl]-N-(3-oxabicyclo[3.1.0]hexan-6-yl)acetamide
CID 176975275
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735
N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975260
1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium
CID 156649761
1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 59862930
N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-[3-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)hexyl]-3H-indol-1-yl]acetamide
CID 176975064

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one?
The IUPAC name of 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one (CID 176975509) is 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one.
What is the SMILES notation for 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one?
The canonical SMILES for 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one is O=C1N(Cc2nc(C(F)(F)F)cs2)c2ccccc2C12CCC(Oc1cnc3[nH]ncc3c1)CC2.
What is the InChIKey of 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one?
The InChIKey is GORQFCAKBUIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2S/c25-24(26,27)19-13-35-20(30-19)12-32-18-4-2-1-3-17(18)23(22(32)33)7-5-15(6-8-23)34-16-9-14-10-29-31-21(14)28-11-16/h1-4,9-11,13,15H,5-8,12H2,(H,28,29,31).
What are the key properties of 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one?
4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 499.52 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)-1'-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]spiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 176975509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).