(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C23H30ClN5O2 — CID 139417575

IUPAC(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cc(N2CCOCC2)ccc1CN1CCC2(CCN(C(=O)n3cc(Cl)cn3)C2)C1
InChIInChI=1S/C23H30ClN5O2/c1-18-12-21(27-8-10-31-11-9-27)3-2-19(18)14-26-6-4-23(16-26)5-7-28(17-23)22(30)29-15-20(24)13-25-29/h2-3,12-13,15H,4-11,14,16-17H2,1H3
InChIKeyMKAYATHPHKVMFZ-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.25
Rot. Bonds3

About (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 139417575) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID139417575
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCc1cc(N2CCOCC2)ccc1CN1CCC2(CCN(C(=O)n3cc(Cl)cn3)C2)C1
InChIInChI=1S/C23H30ClN5O2/c1-18-12-21(27-8-10-31-11-9-27)3-2-19(18)14-26-6-4-23(16-26)5-7-28(17-23)22(30)29-15-20(24)13-25-29/h2-3,12-13,15H,4-11,14,16-17H2,1H3
InChIKeyMKAYATHPHKVMFZ-UHFFFAOYSA-N
XLogP3.25
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone 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

(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
CID 139417522
[7-[(2-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;bis([7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone);[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(3-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 159533540
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
[2-[(4-chloro-2-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 161040237
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316045
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
acetaldehyde;[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316044
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone
CID 162258117
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200886

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 139417575) is (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is Cc1cc(N2CCOCC2)ccc1CN1CCC2(CCN(C(=O)n3cc(Cl)cn3)C2)C1.
What is the InChIKey of (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is MKAYATHPHKVMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-18-12-21(27-8-10-31-11-9-27)3-2-19(18)14-26-6-4-23(16-26)5-7-28(17-23)22(30)29-15-20(24)13-25-29/h2-3,12-13,15H,4-11,14,16-17H2,1H3.
What are the key properties of (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 443.98 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 139417575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).