3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide

C25H23FN4O2 — CID 146209008

IUPAC3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cccc(-c4ccc5n[nH]c(F)c5c4)c3)CCNC2)c1
InChIInChI=1S/C25H23FN4O2/c1-32-20-7-3-6-19(14-20)25(10-11-27-15-25)28-24(31)18-5-2-4-16(12-18)17-8-9-22-21(13-17)23(26)30-29-22/h2-9,12-14,27H,10-11,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyOPCMBLPHMAXTTE-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.00
Rot. Bonds5

About 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide

3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide (PubChem CID 146209008) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
PubChem CID146209008
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cccc(-c4ccc5n[nH]c(F)c5c4)c3)CCNC2)c1
InChIInChI=1S/C25H23FN4O2/c1-32-20-7-3-6-19(14-20)25(10-11-27-15-25)28-24(31)18-5-2-4-16(12-18)17-8-9-22-21(13-17)23(26)30-29-22/h2-9,12-14,27H,10-11,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyOPCMBLPHMAXTTE-UHFFFAOYSA-N
XLogP4.00
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide (CID 146209008) is 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide is COc1cccc(C2(NC(=O)c3cccc(-c4ccc5n[nH]c(F)c5c4)c3)CCNC2)c1.
What is the InChIKey of 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The InChIKey is OPCMBLPHMAXTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-32-20-7-3-6-19(14-20)25(10-11-27-15-25)28-24(31)18-5-2-4-16(12-18)17-8-9-22-21(13-17)23(26)30-29-22/h2-9,12-14,27H,10-11,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 146209008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).