1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one

C19H20N4O — CID 146536682

IUPAC1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
SMILESO=C1CNCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)c1
InChIInChI=1S/C19H20N4O/c24-17-11-20-6-7-23(17)15-3-1-2-13(8-15)14-9-16-18(21-10-14)22-12-19(16)4-5-19/h1-3,8-10,20H,4-7,11-12H2,(H,21,22)
InChIKeyKWNSGAMBZLTLMP-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.14
Rot. Bonds2

About 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one

1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one (PubChem CID 146536682) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
PubChem CID146536682
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
SMILESO=C1CNCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)c1
InChIInChI=1S/C19H20N4O/c24-17-11-20-6-7-23(17)15-3-1-2-13(8-15)14-9-16-18(21-10-14)22-12-19(16)4-5-19/h1-3,8-10,20H,4-7,11-12H2,(H,21,22)
InChIKeyKWNSGAMBZLTLMP-UHFFFAOYSA-N
XLogP2.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one?
The IUPAC name of 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one (CID 146536682) is 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one.
What is the SMILES notation for 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one?
The canonical SMILES for 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one is O=C1CNCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)c1.
What is the InChIKey of 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one?
The InChIKey is KWNSGAMBZLTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-17-11-20-6-7-23(17)15-3-1-2-13(8-15)14-9-16-18(21-10-14)22-12-19(16)4-5-19/h1-3,8-10,20H,4-7,11-12H2,(H,21,22).
What are the key properties of 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one?
1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one has a molecular weight of 320.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one is sourced from PubChem (CID 146536682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).