8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C23H23N5O2 — CID 11223348

IUPAC8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(/C=C/c1n[nH]c2ccccc12)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H23N5O2/c29-21(11-10-20-18-8-4-5-9-19(18)25-26-20)27-14-12-23(13-15-27)22(30)24-16-28(23)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,24,30)(H,25,26)/b11-10+
InChIKeyCVJXCMJIXQTKPH-ZHACJKMWSA-N
MW401.47 g/mol
LogP2.53
Rot. Bonds3

About 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 11223348) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID11223348
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(/C=C/c1n[nH]c2ccccc12)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H23N5O2/c29-21(11-10-20-18-8-4-5-9-19(18)25-26-20)27-14-12-23(13-15-27)22(30)24-16-28(23)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,24,30)(H,25,26)/b11-10+
InChIKeyCVJXCMJIXQTKPH-ZHACJKMWSA-N
XLogP2.53
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 22559572
8-(4-chlorobenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
CID 53470052
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
N-[(2-methoxyphenyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbothioamide
CID 4637766
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 3510475
N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 25038993

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 11223348) is 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(/C=C/c1n[nH]c2ccccc12)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is CVJXCMJIXQTKPH-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-21(11-10-20-18-8-4-5-9-19(18)25-26-20)27-14-12-23(13-15-27)22(30)24-16-28(23)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,24,30)(H,25,26)/b11-10+.
What are the key properties of 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 401.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 11223348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).