N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

C21H24N4O — CID 59159232

IUPACN-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H24N4O/c1-15(26)23-20-5-2-16(3-6-20)13-25-9-8-18(14-25)10-17-4-7-21-19(11-17)12-22-24-21/h2-7,11-12,18H,8-10,13-14H2,1H3,(H,22,24)(H,23,26)
InChIKeyBXIUTHMATQYGKF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 59159232) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID59159232
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C21H24N4O/c1-15(26)23-20-5-2-16(3-6-20)13-25-9-8-18(14-25)10-17-4-7-21-19(11-17)12-22-24-21/h2-7,11-12,18H,8-10,13-14H2,1H3,(H,22,24)(H,23,26)
InChIKeyBXIUTHMATQYGKF-UHFFFAOYSA-N
XLogP3.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 59159232) is N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is BXIUTHMATQYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(26)23-20-5-2-16(3-6-20)13-25-9-8-18(14-25)10-17-4-7-21-19(11-17)12-22-24-21/h2-7,11-12,18H,8-10,13-14H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 59159232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).