morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone

C22H24N4O4 — CID 66828964

IUPACmorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H24N4O4/c27-22(26-9-13-29-14-10-26)16-3-1-15(2-4-16)20-19-18(24-25-20)5-8-23-21(19)30-17-6-11-28-12-7-17/h1-5,8,17H,6-7,9-14H2,(H,24,25)
InChIKeyJAHBIRWMGWGVNL-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.66
Rot. Bonds4

About morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone

morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone (PubChem CID 66828964) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone
PubChem CID66828964
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H24N4O4/c27-22(26-9-13-29-14-10-26)16-3-1-15(2-4-16)20-19-18(24-25-20)5-8-23-21(19)30-17-6-11-28-12-7-17/h1-5,8,17H,6-7,9-14H2,(H,24,25)
InChIKeyJAHBIRWMGWGVNL-UHFFFAOYSA-N
XLogP2.66
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone (CID 66828964) is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone is O=C(c1ccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone?
The InChIKey is JAHBIRWMGWGVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-22(26-9-13-29-14-10-26)16-3-1-15(2-4-16)20-19-18(24-25-20)5-8-23-21(19)30-17-6-11-28-12-7-17/h1-5,8,17H,6-7,9-14H2,(H,24,25).
What are the key properties of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone?
morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone has a molecular weight of 408.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methanone is sourced from PubChem (CID 66828964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).