5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

C28H28F2N4O2 — CID 166916304

IUPAC5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C28H28F2N4O2/c1-19-13-24-21(16-31-34(24)22-9-10-25(35)32(3)17-22)14-23(19)28(15-20-7-5-4-6-8-20)11-12-33(18-28)26(36)27(2,29)30/h4-10,13-14,16-17H,11-12,15,18H2,1-3H3
InChIKeyIPBUPDCFPNVEQC-UHFFFAOYSA-N
MW490.55 g/mol
LogP4.40
Rot. Bonds5

About 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one

5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (PubChem CID 166916304) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
PubChem CID166916304
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one
SMILESCc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C28H28F2N4O2/c1-19-13-24-21(16-31-34(24)22-9-10-25(35)32(3)17-22)14-23(19)28(15-20-7-5-4-6-8-20)11-12-33(18-28)26(36)27(2,29)30/h4-10,13-14,16-17H,11-12,15,18H2,1-3H3
InChIKeyIPBUPDCFPNVEQC-UHFFFAOYSA-N
XLogP4.40
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-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

3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}pyrrolidin-2-one
CID 11509879
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205317
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
(5Z)-5-({1-[2,4-Bis(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 58530407
[(5Z)-5-({1-[2,4-Bis(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 58530630
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one (CID 166916304) is 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is Cc1cc2c(cnn2-c2ccc(=O)n(C)c2)cc1C1(Cc2ccccc2)CCN(C(=O)C(C)(F)F)C1.
What is the InChIKey of 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is IPBUPDCFPNVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c1-19-13-24-21(16-31-34(24)22-9-10-25(35)32(3)17-22)14-23(19)28(15-20-7-5-4-6-8-20)11-12-33(18-28)26(36)27(2,29)30/h4-10,13-14,16-17H,11-12,15,18H2,1-3H3.
What are the key properties of 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one?
5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 490.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-benzyl-1-(2,2-difluoropropanoyl)pyrrolidin-3-yl]-6-methylindazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 166916304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).