morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone

C21H23N5O4 — CID 56941932

IUPACmorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCOCC1
InChIInChI=1S/C21H23N5O4/c27-21(26-7-11-29-12-8-26)17-13-14(1-5-22-17)19-18-16(24-25-19)2-6-23-20(18)30-15-3-9-28-10-4-15/h1-2,5-6,13,15H,3-4,7-12H2,(H,24,25)
InChIKeyUUGUZTUFVNGSHH-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.05
Rot. Bonds4

About morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone

morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone (PubChem CID 56941932) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone
PubChem CID56941932
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCOCC1
InChIInChI=1S/C21H23N5O4/c27-21(26-7-11-29-12-8-26)17-13-14(1-5-22-17)19-18-16(24-25-19)2-6-23-20(18)30-15-3-9-28-10-4-15/h1-2,5-6,13,15H,3-4,7-12H2,(H,24,25)
InChIKeyUUGUZTUFVNGSHH-UHFFFAOYSA-N
XLogP2.05
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone (CID 56941932) is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone is O=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone?
The InChIKey is UUGUZTUFVNGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c27-21(26-7-11-29-12-8-26)17-13-14(1-5-22-17)19-18-16(24-25-19)2-6-23-20(18)30-15-3-9-28-10-4-15/h1-2,5-6,13,15H,3-4,7-12H2,(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]-2-pyridinyl]methanone?
morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]methanone has a molecular weight of 409.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-pyridinyl]methanone is sourced from PubChem (CID 56941932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).