3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one

C31H31N5O2 — CID 11249157

IUPAC3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCc1cc(CC(CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ccccn2)cc2cn[nH]c12
InChIInChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38)
InChIKeyKTPUQSUFFOWMFC-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.23
Rot. Bonds6

About 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one

3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one (PubChem CID 11249157) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
PubChem CID11249157
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC Name3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCc1cc(CC(CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ccccn2)cc2cn[nH]c12
InChIInChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38)
InChIKeyKTPUQSUFFOWMFC-UHFFFAOYSA-N
XLogP5.23
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one (CID 11249157) is 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one is Cc1cc(CC(CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ccccn2)cc2cn[nH]c12.
What is the InChIKey of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one?
The InChIKey is KTPUQSUFFOWMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38).
What are the key properties of 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one?
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one has a molecular weight of 505.62 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 11249157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).