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

C24H22N6O4 — CID 176975221

IUPAC4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21
InChIInChI=1S/C24H22N6O4/c25-11-15-14-33-8-7-29(15)22(31)13-30-20-4-2-1-3-17(20)24(23(30)32)9-16(10-24)34-21-6-5-18-19(27-21)12-26-28-18/h1-6,12,15-16H,7-10,13-14H2,(H,26,28)
InChIKeyRCCFFHXDHRBUJJ-UHFFFAOYSA-N
MW458.48 g/mol
LogP1.53
Rot. Bonds4

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

4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile (PubChem CID 176975221) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile
PubChem CID176975221
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21
InChIInChI=1S/C24H22N6O4/c25-11-15-14-33-8-7-29(15)22(31)13-30-20-4-2-1-3-17(20)24(23(30)32)9-16(10-24)34-21-6-5-18-19(27-21)12-26-28-18/h1-6,12,15-16H,7-10,13-14H2,(H,26,28)
InChIKeyRCCFFHXDHRBUJJ-UHFFFAOYSA-N
XLogP1.53
TPSA124.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile?
The IUPAC name of 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) is 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile is N#CC1COCCN1C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21.
What is the InChIKey of 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile?
The InChIKey is RCCFFHXDHRBUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c25-11-15-14-33-8-7-29(15)22(31)13-30-20-4-2-1-3-17(20)24(23(30)32)9-16(10-24)34-21-6-5-18-19(27-21)12-26-28-18/h1-6,12,15-16H,7-10,13-14H2,(H,26,28).
What are the key properties of 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile?
4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile has a molecular weight of 458.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile is sourced from PubChem (CID 176975221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).