3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one

C26H24N4O3 — CID 166156101

IUPAC3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4oc(C5=CC(=O)CC5)cc4n3)n2)c1
InChIInChI=1S/C26H24N4O3/c1-17-3-2-4-18(13-17)21-7-8-30(28-21)25-16-23(29-9-11-32-12-10-29)26-22(27-25)15-24(33-26)19-5-6-20(31)14-19/h2-4,7-8,13-16H,5-6,9-12H2,1H3
InChIKeyBXMDLKWUGDRLPA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.57
Rot. Bonds4

About 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one

3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one (PubChem CID 166156101) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
PubChem CID166156101
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4oc(C5=CC(=O)CC5)cc4n3)n2)c1
InChIInChI=1S/C26H24N4O3/c1-17-3-2-4-18(13-17)21-7-8-30(28-21)25-16-23(29-9-11-32-12-10-29)26-22(27-25)15-24(33-26)19-5-6-20(31)14-19/h2-4,7-8,13-16H,5-6,9-12H2,1H3
InChIKeyBXMDLKWUGDRLPA-UHFFFAOYSA-N
XLogP4.57
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one (CID 166156101) is 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4oc(C5=CC(=O)CC5)cc4n3)n2)c1.
What is the InChIKey of 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one?
The InChIKey is BXMDLKWUGDRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-3-2-4-18(13-17)21-7-8-30(28-21)25-16-23(29-9-11-32-12-10-29)26-22(27-25)15-24(33-26)19-5-6-20(31)14-19/h2-4,7-8,13-16H,5-6,9-12H2,1H3.
What are the key properties of 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one?
3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one has a molecular weight of 440.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 166156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).