3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one

C27H29N5O2 — CID 118125515

IUPAC3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3n[nH]c4ccccc34)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C27H29N5O2/c1-27(2)26(34)32(16-17-13-14-31(15-17)25(33)20-11-12-20)24(28-27)19-9-7-18(8-10-19)23-21-5-3-4-6-22(21)29-30-23/h3-10,17,20H,11-16H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyYUSJBCKUBMTQRO-QGZVFWFLSA-N
MW455.56 g/mol
LogP3.86
Rot. Bonds5

About 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one

3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one (PubChem CID 118125515) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one
PubChem CID118125515
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3n[nH]c4ccccc34)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C27H29N5O2/c1-27(2)26(34)32(16-17-13-14-31(15-17)25(33)20-11-12-20)24(28-27)19-9-7-18(8-10-19)23-21-5-3-4-6-22(21)29-30-23/h3-10,17,20H,11-16H2,1-2H3,(H,29,30)/t17-/m1/s1
InChIKeyYUSJBCKUBMTQRO-QGZVFWFLSA-N
XLogP3.86
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-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

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one?
The IUPAC name of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one (CID 118125515) is 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one.
What is the SMILES notation for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one?
The canonical SMILES for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one is CC1(C)N=C(c2ccc(-c3n[nH]c4ccccc34)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O.
What is the InChIKey of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one?
The InChIKey is YUSJBCKUBMTQRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-27(2)26(34)32(16-17-13-14-31(15-17)25(33)20-11-12-20)24(28-27)19-9-7-18(8-10-19)23-21-5-3-4-6-22(21)29-30-23/h3-10,17,20H,11-16H2,1-2H3,(H,29,30)/t17-/m1/s1.
What are the key properties of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one?
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one has a molecular weight of 455.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one is sourced from PubChem (CID 118125515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).