N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide

C26H25FN4O — CID 146209058

IUPACN-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide
SMILESO=C(NC(CN1CCCC1)c1cccc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C26H25FN4O/c27-23-8-4-6-20(15-23)25(17-31-11-1-2-12-31)29-26(32)21-7-3-5-18(13-21)19-9-10-24-22(14-19)16-28-30-24/h3-10,13-16,25H,1-2,11-12,17H2,(H,28,30)(H,29,32)
InChIKeyZEGZREPARJMRTR-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.94
Rot. Bonds6

About N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide

N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146209058) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146209058
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide
SMILESO=C(NC(CN1CCCC1)c1cccc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C26H25FN4O/c27-23-8-4-6-20(15-23)25(17-31-11-1-2-12-31)29-26(32)21-7-3-5-18(13-21)19-9-10-24-22(14-19)16-28-30-24/h3-10,13-16,25H,1-2,11-12,17H2,(H,28,30)(H,29,32)
InChIKeyZEGZREPARJMRTR-UHFFFAOYSA-N
XLogP4.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide (CID 146209058) is N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide is O=C(NC(CN1CCCC1)c1cccc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is ZEGZREPARJMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-23-8-4-6-20(15-23)25(17-31-11-1-2-12-31)29-26(32)21-7-3-5-18(13-21)19-9-10-24-22(14-19)16-28-30-24/h3-10,13-16,25H,1-2,11-12,17H2,(H,28,30)(H,29,32).
What are the key properties of N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide?
N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 428.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).