5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

C31H30N4O2 — CID 170273911

IUPAC5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C2=CCC=C2)C1
InChIInChI=1S/C31H30N4O2/c1-22-16-28-25(19-32-35(28)26-12-13-29(36)33(2)20-26)17-27(22)31(18-23-8-4-3-5-9-23)14-15-34(21-31)30(37)24-10-6-7-11-24/h3-6,8-13,16-17,19-20H,7,14-15,18,21H2,1-2H3
InChIKeyHVZNLBUSXQBOFO-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.63
Rot. Bonds5

About 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (PubChem CID 170273911) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
PubChem CID170273911
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C2=CCC=C2)C1
InChIInChI=1S/C31H30N4O2/c1-22-16-28-25(19-32-35(28)26-12-13-29(36)33(2)20-26)17-27(22)31(18-23-8-4-3-5-9-23)14-15-34(21-31)30(37)24-10-6-7-11-24/h3-6,8-13,16-17,19-20H,7,14-15,18,21H2,1-2H3
InChIKeyHVZNLBUSXQBOFO-UHFFFAOYSA-N
XLogP4.63
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (CID 170273911) is 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is Cc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C2=CCC=C2)C1.
What is the InChIKey of 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is HVZNLBUSXQBOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-22-16-28-25(19-32-35(28)26-12-13-29(36)33(2)20-26)17-27(22)31(18-23-8-4-3-5-9-23)14-15-34(21-31)30(37)24-10-6-7-11-24/h3-6,8-13,16-17,19-20H,7,14-15,18,21H2,1-2H3.
What are the key properties of 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 490.61 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-benzyl-1-(cyclopenta-1,4-diene-1-carbonyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 170273911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).