(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone

C18H24N4OS — CID 131680780

IUPAC(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone
SMILESCC(C)N1Cc2cncn2C2(CCCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C18H24N4OS/c1-14(2)21-10-15-9-19-13-22(15)18(12-21)6-4-7-20(11-18)17(23)16-5-3-8-24-16/h3,5,8-9,13-14H,4,6-7,10-12H2,1-2H3
InChIKeyBRRZNQQRHPODDV-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds2

About (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone

(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone (PubChem CID 131680780) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone
PubChem CID131680780
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone
SMILESCC(C)N1Cc2cncn2C2(CCCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C18H24N4OS/c1-14(2)21-10-15-9-19-13-22(15)18(12-21)6-4-7-20(11-18)17(23)16-5-3-8-24-16/h3,5,8-9,13-14H,4,6-7,10-12H2,1-2H3
InChIKeyBRRZNQQRHPODDV-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 25381757
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584

Frequently Asked Questions

What is the IUPAC name of (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone?
The IUPAC name of (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone (CID 131680780) is (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone is CC(C)N1Cc2cncn2C2(CCCN(C(=O)c3cccs3)C2)C1.
What is the InChIKey of (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone?
The InChIKey is BRRZNQQRHPODDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(2)21-10-15-9-19-13-22(15)18(12-21)6-4-7-20(11-18)17(23)16-5-3-8-24-16/h3,5,8-9,13-14H,4,6-7,10-12H2,1-2H3.
What are the key properties of (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone?
(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 131680780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).