4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen

C26H26FN5O4 — CID 176975498

IUPAC4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen
SMILESN#CC1COCCN1C(=O)CC1Cc2cccc(F)c2C2(CC(Oc3ccc4[nH]ncc4n3)C2)C1=O.[H][H]
InChIInChI=1S/C26H24FN5O4.H2/c27-19-3-1-2-15-8-16(9-23(33)32-6-7-35-14-17(32)12-28)25(34)26(24(15)19)10-18(11-26)36-22-5-4-20-21(30-22)13-29-31-20;/h1-5,13,16-18H,6-11,14H2,(H,29,31);1H
InChIKeyMVKLJFOFFQSIQY-UHFFFAOYSA-N
MW491.52 g/mol
LogP2.70
Rot. Bonds4

About 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen

4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen (PubChem CID 176975498) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen
PubChem CID176975498
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen
SMILESN#CC1COCCN1C(=O)CC1Cc2cccc(F)c2C2(CC(Oc3ccc4[nH]ncc4n3)C2)C1=O.[H][H]
InChIInChI=1S/C26H24FN5O4.H2/c27-19-3-1-2-15-8-16(9-23(33)32-6-7-35-14-17(32)12-28)25(34)26(24(15)19)10-18(11-26)36-22-5-4-20-21(30-22)13-29-31-20;/h1-5,13,16-18H,6-11,14H2,(H,29,31);1H
InChIKeyMVKLJFOFFQSIQY-UHFFFAOYSA-N
XLogP2.70
TPSA121.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile
CID 176975221
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
8-[2-[(2R)-2-[difluoro-(methylidene-λ3-iodanyl)methyl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[7H-benzo[7]annulene-5,1'-cyclobutane]-6-one
CID 176975580
N-(2,2-difluoroethyl)-2-[4'-fluoro-2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetamide
CID 176975180
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-[[4-[2-[1-acetyl-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)cyclobutyl]phenyl]-1-oxobut-1-en-2-yl]amino]cyclopropane-1-carbonitrile
CID 176975426
(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
CID 97016775
4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
CID 71980148
(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholine-3-carbonitrile
CID 125131193
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
(3S)-4-(4-acetylbenzoyl)morpholine-3-carbonitrile
CID 96570106
4-[2-[1-acetyl-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)cyclobutyl]phenyl]butan-2-one;1,1,1-trifluoro-3-methyl-2-propoxybutane
CID 176975599

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen?
The IUPAC name of 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen (CID 176975498) is 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen.
What is the SMILES notation for 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen?
The canonical SMILES for 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen is N#CC1COCCN1C(=O)CC1Cc2cccc(F)c2C2(CC(Oc3ccc4[nH]ncc4n3)C2)C1=O.[H][H].
What is the InChIKey of 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen?
The InChIKey is MVKLJFOFFQSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4.H2/c27-19-3-1-2-15-8-16(9-23(33)32-6-7-35-14-17(32)12-28)25(34)26(24(15)19)10-18(11-26)36-22-5-4-20-21(30-22)13-29-31-20;/h1-5,13,16-18H,6-11,14H2,(H,29,31);1H.
What are the key properties of 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen?
4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen has a molecular weight of 491.52 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-fluoro-3-oxo-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[1,2-dihydronaphthalene-4,1'-cyclobutane]-2-yl]acetyl]morpholine-3-carbonitrile;molecular hydrogen is sourced from PubChem (CID 176975498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).