2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

C30H29N7O — CID 138707166

IUPAC2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCc1ccnc(-c2ccc(-c3nn[nH]n3)c(-c3ccc(CN4C(=O)C5(CCCC5)N=C4C4CC4)cc3)c2)c1
InChIInChI=1S/C30H29N7O/c1-19-12-15-31-26(16-19)23-10-11-24(27-33-35-36-34-27)25(17-23)21-6-4-20(5-7-21)18-37-28(22-8-9-22)32-30(29(37)38)13-2-3-14-30/h4-7,10-12,15-17,22H,2-3,8-9,13-14,18H2,1H3,(H,33,34,35,36)
InChIKeyYBASFKOLWPVJDJ-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.37
Rot. Bonds6

About 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 138707166) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID138707166
Molecular FormulaC30H29N7O
Molecular Weight503.61 g/mol
Exact Mass503.24
IUPAC Name2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCc1ccnc(-c2ccc(-c3nn[nH]n3)c(-c3ccc(CN4C(=O)C5(CCCC5)N=C4C4CC4)cc3)c2)c1
InChIInChI=1S/C30H29N7O/c1-19-12-15-31-26(16-19)23-10-11-24(27-33-35-36-34-27)25(17-23)21-6-4-20(5-7-21)18-37-28(22-8-9-22)32-30(29(37)38)13-2-3-14-30/h4-7,10-12,15-17,22H,2-3,8-9,13-14,18H2,1H3,(H,33,34,35,36)
InChIKeyYBASFKOLWPVJDJ-UHFFFAOYSA-N
XLogP5.37
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-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

2-(3,3,4,4,5,5,5-heptadeuteriopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
CID 171391645
4-[4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-2-yl]butanoic acid
CID 11676932
3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
CID 167614228
2-[3-[4-[(2-cyclopropyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 24945672
1-amino-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]cyclohexane-1-carboxamide
CID 19025557
2-(1-aminocyclohexyl)-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]acetamide
CID 139643207
3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138707098
2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-5-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 71558320
2-butyl-3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 58663241
2-azido-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 175850730
4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 118231072
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one (CID 138707166) is 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one is Cc1ccnc(-c2ccc(-c3nn[nH]n3)c(-c3ccc(CN4C(=O)C5(CCCC5)N=C4C4CC4)cc3)c2)c1.
What is the InChIKey of 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is YBASFKOLWPVJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-19-12-15-31-26(16-19)23-10-11-24(27-33-35-36-34-27)25(17-23)21-6-4-20(5-7-21)18-37-28(22-8-9-22)32-30(29(37)38)13-2-3-14-30/h4-7,10-12,15-17,22H,2-3,8-9,13-14,18H2,1H3,(H,33,34,35,36).
What are the key properties of 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 503.61 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[[4-[5-(4-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 138707166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).