7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one

C33H35N5O2 — CID 46897244

IUPAC7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one
SMILESCc1cccc2c1C(=O)N(c1ccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)c3c1)C2
InChIInChI=1S/C33H35N5O2/c1-24-3-2-4-26-22-38(32(40)31(24)26)28-6-5-25-9-16-37(29(25)21-28)23-30(39)36-19-12-33(13-20-36)10-17-35(18-11-33)27-7-14-34-15-8-27/h2-9,14-16,21H,10-13,17-20,22-23H2,1H3
InChIKeyWMPLKDOXGPFEKX-UHFFFAOYSA-N
MW533.68 g/mol
LogP5.41
Rot. Bonds4

About 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one

7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one (PubChem CID 46897244) has the molecular formula C33H35N5O2 and a molecular weight of 533.68 g/mol. Its IUPAC name is 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one
PubChem CID46897244
Molecular FormulaC33H35N5O2
Molecular Weight533.68 g/mol
Exact Mass533.28
IUPAC Name7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one
SMILESCc1cccc2c1C(=O)N(c1ccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)c3c1)C2
InChIInChI=1S/C33H35N5O2/c1-24-3-2-4-26-22-38(32(40)31(24)26)28-6-5-25-9-16-37(29(25)21-28)23-30(39)36-19-12-33(13-20-36)10-17-35(18-11-33)27-7-14-34-15-8-27/h2-9,14-16,21H,10-13,17-20,22-23H2,1H3
InChIKeyWMPLKDOXGPFEKX-UHFFFAOYSA-N
XLogP5.41
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one?
The IUPAC name of 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one (CID 46897244) is 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one.
What is the SMILES notation for 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one?
The canonical SMILES for 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one is Cc1cccc2c1C(=O)N(c1ccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccncc4)CC5)c3c1)C2.
What is the InChIKey of 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one?
The InChIKey is WMPLKDOXGPFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O2/c1-24-3-2-4-26-22-38(32(40)31(24)26)28-6-5-25-9-16-37(29(25)21-28)23-30(39)36-19-12-33(13-20-36)10-17-35(18-11-33)27-7-14-34-15-8-27/h2-9,14-16,21H,10-13,17-20,22-23H2,1H3.
What are the key properties of 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one?
7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one has a molecular weight of 533.68 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one is sourced from PubChem (CID 46897244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).