(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H22N4O — CID 97471755

IUPAC(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(c2ccccn2)C[C@@]12CCN(Cc1cccnc1)C2=O
InChIInChI=1S/C19H22N4O/c1-15-12-23(17-6-2-3-9-21-17)14-19(15)7-10-22(18(19)24)13-16-5-4-8-20-11-16/h2-6,8-9,11,15H,7,10,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyBWENZHZNEISDNX-KXBFYZLASA-N
MW322.41 g/mol
LogP2.35
Rot. Bonds3

About (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471755) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471755
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@H]1CN(c2ccccn2)C[C@@]12CCN(Cc1cccnc1)C2=O
InChIInChI=1S/C19H22N4O/c1-15-12-23(17-6-2-3-9-21-17)14-19(15)7-10-22(18(19)24)13-16-5-4-8-20-11-16/h2-6,8-9,11,15H,7,10,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyBWENZHZNEISDNX-KXBFYZLASA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471755) is (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is C[C@H]1CN(c2ccccn2)C[C@@]12CCN(Cc1cccnc1)C2=O.
What is the InChIKey of (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is BWENZHZNEISDNX-KXBFYZLASA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-12-23(17-6-2-3-9-21-17)14-19(15)7-10-22(18(19)24)13-16-5-4-8-20-11-16/h2-6,8-9,11,15H,7,10,12-14H2,1H3/t15-,19-/m0/s1.
What are the key properties of (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 322.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-methyl-7-pyridin-2-yl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).