(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H21N3O — CID 97374075

IUPAC(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(CC3CC3)C2)CN1c1ccccn1
InChIInChI=1S/C16H21N3O/c20-15-9-16(6-8-18(11-16)10-13-4-5-13)12-19(15)14-3-1-2-7-17-14/h1-3,7,13H,4-6,8-12H2/t16-/m0/s1
InChIKeyCNWSXTCOJHZHRU-INIZCTEOSA-N
MW271.36 g/mol
LogP1.92
Rot. Bonds3

About (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one

(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374075) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374075
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1C[C@]2(CCN(CC3CC3)C2)CN1c1ccccn1
InChIInChI=1S/C16H21N3O/c20-15-9-16(6-8-18(11-16)10-13-4-5-13)12-19(15)14-3-1-2-7-17-14/h1-3,7,13H,4-6,8-12H2/t16-/m0/s1
InChIKeyCNWSXTCOJHZHRU-INIZCTEOSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

7-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131643802
7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
7-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696458
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
7-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155863142
7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131639386
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155850204
7-(1-methylpyrrole-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155863162
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,3'-pyrrolidine]-3-carboxamide
CID 131669635

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 97374075) is (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C1C[C@]2(CCN(CC3CC3)C2)CN1c1ccccn1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is CNWSXTCOJHZHRU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15-9-16(6-8-18(11-16)10-13-4-5-13)12-19(15)14-3-1-2-7-17-14/h1-3,7,13H,4-6,8-12H2/t16-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 271.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).