(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone

C24H30N4O — CID 59483790

IUPAC(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
SMILESO=C(c1cccc2c1CNCC2)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C24H30N4O/c29-23(21-3-1-2-19-4-11-26-18-22(19)21)28-16-9-24(10-17-28)7-14-27(15-8-24)20-5-12-25-13-6-20/h1-3,5-6,12-13,26H,4,7-11,14-18H2
InChIKeyLPBSVDPCPUEEDB-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.25
Rot. Bonds2

About (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone

(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone (PubChem CID 59483790) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone.

Molecular Properties

Compound Name(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
PubChem CID59483790
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
SMILESO=C(c1cccc2c1CNCC2)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C24H30N4O/c29-23(21-3-1-2-19-4-11-26-18-22(19)21)28-16-9-24(10-17-28)7-14-27(15-8-24)20-5-12-25-13-6-20/h1-3,5-6,12-13,26H,4,7-11,14-18H2
InChIKeyLPBSVDPCPUEEDB-UHFFFAOYSA-N
XLogP3.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The IUPAC name of (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone (CID 59483790) is (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone.
What is the SMILES notation for (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The canonical SMILES for (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone is O=C(c1cccc2c1CNCC2)N1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
The InChIKey is LPBSVDPCPUEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-23(21-3-1-2-19-4-11-26-18-22(19)21)28-16-9-24(10-17-28)7-14-27(15-8-24)20-5-12-25-13-6-20/h1-3,5-6,12-13,26H,4,7-11,14-18H2.
What are the key properties of (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone?
(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone is sourced from PubChem (CID 59483790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).