N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide

C21H22FN5O — CID 154726878

IUPACN-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(N(C)Cc3ccc4[nH]ncc4c3)cc(F)cc12
InChIInChI=1S/C21H22FN5O/c1-13(28)23-6-5-15-10-24-21-18(15)8-17(22)9-20(21)27(2)12-14-3-4-19-16(7-14)11-25-26-19/h3-4,7-11,24H,5-6,12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyIXPSJXMQPQMWAV-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 154726878) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide
PubChem CID154726878
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(N(C)Cc3ccc4[nH]ncc4c3)cc(F)cc12
InChIInChI=1S/C21H22FN5O/c1-13(28)23-6-5-15-10-24-21-18(15)8-17(22)9-20(21)27(2)12-14-3-4-19-16(7-14)11-25-26-19/h3-4,7-11,24H,5-6,12H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyIXPSJXMQPQMWAV-UHFFFAOYSA-N
XLogP3.50
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[7-(1,3-benzoxazol-2-ylamino)-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154703818
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
N-[2-[7-[4-(2-chloroacetyl)piperazine-1-carbonyl]-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154706306
2-(1H-indazol-5-yl)acetic acid
CID 39103838
cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
CID 126835076
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972422
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
3-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111972408

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide (CID 154726878) is N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2c(N(C)Cc3ccc4[nH]ncc4c3)cc(F)cc12.
What is the InChIKey of N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is IXPSJXMQPQMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-13(28)23-6-5-15-10-24-21-18(15)8-17(22)9-20(21)27(2)12-14-3-4-19-16(7-14)11-25-26-19/h3-4,7-11,24H,5-6,12H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 154726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).