4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one

C25H24FN5O4 — CID 176975548

IUPAC4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2c(F)cccc21)N1CCCC12COC2
InChIInChI=1S/C25H24FN5O4/c26-16-3-1-4-19-22(16)25(9-15(10-25)35-20-6-5-17-18(28-20)11-27-29-17)23(33)30(19)12-21(32)31-8-2-7-24(31)13-34-14-24/h1,3-6,11,15H,2,7-10,12-14H2,(H,27,29)
InChIKeyNWHUCPQLWUFNEW-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.31
Rot. Bonds4

About 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one

4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one (PubChem CID 176975548) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one
PubChem CID176975548
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2c(F)cccc21)N1CCCC12COC2
InChIInChI=1S/C25H24FN5O4/c26-16-3-1-4-19-22(16)25(9-15(10-25)35-20-6-5-17-18(28-20)11-27-29-17)23(33)30(19)12-21(32)31-8-2-7-24(31)13-34-14-24/h1,3-6,11,15H,2,7-10,12-14H2,(H,27,29)
InChIKeyNWHUCPQLWUFNEW-UHFFFAOYSA-N
XLogP2.31
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one?
The IUPAC name of 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one (CID 176975548) is 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one.
What is the SMILES notation for 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one?
The canonical SMILES for 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one is O=C(CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2c(F)cccc21)N1CCCC12COC2.
What is the InChIKey of 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one?
The InChIKey is NWHUCPQLWUFNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c26-16-3-1-4-19-22(16)25(9-15(10-25)35-20-6-5-17-18(28-20)11-27-29-17)23(33)30(19)12-21(32)31-8-2-7-24(31)13-34-14-24/h1,3-6,11,15H,2,7-10,12-14H2,(H,27,29).
What are the key properties of 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one?
4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one has a molecular weight of 477.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one is sourced from PubChem (CID 176975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).