N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

C21H23ClN4O — CID 167975090

IUPACN-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc2n1CCNC21CCC1
InChIInChI=1S/C21H23ClN4O/c22-16-4-1-3-15-14(13-24-19(15)16)7-10-23-20(27)17-5-6-18-21(8-2-9-21)25-11-12-26(17)18/h1,3-6,13,24-25H,2,7-12H2,(H,23,27)
InChIKeyOETFXSTXBQHFPQ-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (PubChem CID 167975090) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.

Molecular Properties

Compound NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
PubChem CID167975090
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc2n1CCNC21CCC1
InChIInChI=1S/C21H23ClN4O/c22-16-4-1-3-15-14(13-24-19(15)16)7-10-23-20(27)17-5-6-18-21(8-2-9-21)25-11-12-26(17)18/h1,3-6,13,24-25H,2,7-12H2,(H,23,27)
InChIKeyOETFXSTXBQHFPQ-UHFFFAOYSA-N
XLogP3.58
TPSA61.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide with MolForge

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Related Compounds

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
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CID 138057346
N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222448
3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166364066
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N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (CID 167975090) is N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.
What is the SMILES notation for N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The canonical SMILES for N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is O=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc2n1CCNC21CCC1.
What is the InChIKey of N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The InChIKey is OETFXSTXBQHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-16-4-1-3-15-14(13-24-19(15)16)7-10-23-20(27)17-5-6-18-21(8-2-9-21)25-11-12-26(17)18/h1,3-6,13,24-25H,2,7-12H2,(H,23,27).
What are the key properties of N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 167975090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).