N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

C27H31N5O3 — CID 135375590

IUPACN-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1
InChIInChI=1S/C27H31N5O3/c1-21(33)29(2)23-16-28-32(18-23)26(34)31-14-12-27(20-31)11-13-30(19-27)17-22-7-6-10-25(15-22)35-24-8-4-3-5-9-24/h3-10,15-16,18H,11-14,17,19-20H2,1-2H3
InChIKeyPEOMXGSLEJHFOF-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.22
Rot. Bonds5

About N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375590) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375590
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1
InChIInChI=1S/C27H31N5O3/c1-21(33)29(2)23-16-28-32(18-23)26(34)31-14-12-27(20-31)11-13-30(19-27)17-22-7-6-10-25(15-22)35-24-8-4-3-5-9-24/h3-10,15-16,18H,11-14,17,19-20H2,1-2H3
InChIKeyPEOMXGSLEJHFOF-UHFFFAOYSA-N
XLogP4.22
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide 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

acetaldehyde;[4-(dimethylamino)pyrazol-1-yl]-[2-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 145315954
[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 158577123
[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 139417629
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
CID 162227578
N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide
CID 135375691
N-methyl-N-[1-[2-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375571
[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-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[[4-(hydroxymethyl)phenyl]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;N-methyl-N-[1-[7-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 162120598
N-methyl-N-[1-[2-[(3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375463
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
[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
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 135375590) is N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccccc5)c4)C3)C2)c1.
What is the InChIKey of N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is PEOMXGSLEJHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-21(33)29(2)23-16-28-32(18-23)26(34)31-14-12-27(20-31)11-13-30(19-27)17-22-7-6-10-25(15-22)35-24-8-4-3-5-9-24/h3-10,15-16,18H,11-14,17,19-20H2,1-2H3.
What are the key properties of N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 473.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).