4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine

C25H28N4O — CID 167250067

IUPAC4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
SMILESCCCC1=Cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2C1
InChIInChI=1S/C25H28N4O/c1-3-5-19-15-21-23(16-19)26-25(17-24(21)28-10-12-30-13-11-28)29-9-8-22(27-29)20-7-4-6-18(2)14-20/h4,6-9,14,16-17H,3,5,10-13,15H2,1-2H3
InChIKeyGKSIIQAVZDHKJA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.82
Rot. Bonds5

About 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine (PubChem CID 167250067) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
PubChem CID167250067
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
SMILESCCCC1=Cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2C1
InChIInChI=1S/C25H28N4O/c1-3-5-19-15-21-23(16-19)26-25(17-24(21)28-10-12-30-13-11-28)29-9-8-22(27-29)20-7-4-6-18(2)14-20/h4,6-9,14,16-17H,3,5,10-13,15H2,1-2H3
InChIKeyGKSIIQAVZDHKJA-UHFFFAOYSA-N
XLogP4.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine (CID 167250067) is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine is CCCC1=Cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2C1.
What is the InChIKey of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine?
The InChIKey is GKSIIQAVZDHKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-5-19-15-21-23(16-19)26-25(17-24(21)28-10-12-30-13-11-28)29-9-8-22(27-29)20-7-4-6-18(2)14-20/h4,6-9,14,16-17H,3,5,10-13,15H2,1-2H3.
What are the key properties of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine?
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine has a molecular weight of 400.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine is sourced from PubChem (CID 167250067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).