1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one

C26H32N6O2 — CID 66732381

IUPAC1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCN(C(=O)C(C)(C)C)CC4)C3)cnc21
InChIInChI=1S/C26H32N6O2/c1-5-32-23-20(17-28-32)22(29-18-9-7-6-8-10-18)19(16-27-23)21-15-26(34-30-21)11-13-31(14-12-26)24(33)25(2,3)4/h6-10,16-17H,5,11-15H2,1-4H3,(H,27,29)
InChIKeyCMGKFRWRPHCHKX-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one

1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one (PubChem CID 66732381) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one
PubChem CID66732381
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one
SMILESCCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCN(C(=O)C(C)(C)C)CC4)C3)cnc21
InChIInChI=1S/C26H32N6O2/c1-5-32-23-20(17-28-32)22(29-18-9-7-6-8-10-18)19(16-27-23)21-15-26(34-30-21)11-13-31(14-12-26)24(33)25(2,3)4/h6-10,16-17H,5,11-15H2,1-4H3,(H,27,29)
InChIKeyCMGKFRWRPHCHKX-UHFFFAOYSA-N
XLogP4.73
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

5-(2,2-dihydroxy-5-oxa-2λ4-thia-6-azaspiro[3.4]oct-6-en-7-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732374
1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732911
tert-butyl 3-[[1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylate
CID 66732708
1-ethyl-6-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66624982
N-cyclohexyl-1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732523
tert-butyl 3-[4-[(1,1-dihydroxythian-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 25106578
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxamide
CID 66732619
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 86647605
4-[[1-ethyl-5-(8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 66732706
7-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 66733084
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-amine
CID 66732731
4-[[1-ethyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-one
CID 66732777

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one (CID 66732381) is 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one is CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(CCN(C(=O)C(C)(C)C)CC4)C3)cnc21.
What is the InChIKey of 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CMGKFRWRPHCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-5-32-23-20(17-28-32)22(29-18-9-7-6-8-10-18)19(16-27-23)21-15-26(34-30-21)11-13-31(14-12-26)24(33)25(2,3)4/h6-10,16-17H,5,11-15H2,1-4H3,(H,27,29).
What are the key properties of 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one?
1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one has a molecular weight of 460.58 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 66732381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).