2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

C18H21ClN8O — CID 172621797

IUPAC2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CCC3)n2)cn1)N1CCNCC1
InChIInChI=1S/C18H21ClN8O/c19-15-9-21-17-18(25-4-1-5-25)23-14(11-27(15)17)13-8-22-26(10-13)12-16(28)24-6-2-20-3-7-24/h8-11,20H,1-7,12H2
InChIKeyFCROMANZTQRQRX-UHFFFAOYSA-N
MW400.87 g/mol
LogP0.89
Rot. Bonds4

About 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 172621797) has the molecular formula C18H21ClN8O and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID172621797
Molecular FormulaC18H21ClN8O
Molecular Weight400.87 g/mol
Exact Mass400.15
IUPAC Name2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CCC3)n2)cn1)N1CCNCC1
InChIInChI=1S/C18H21ClN8O/c19-15-9-21-17-18(25-4-1-5-25)23-14(11-27(15)17)13-8-22-26(10-13)12-16(28)24-6-2-20-3-7-24/h8-11,20H,1-7,12H2
InChIKeyFCROMANZTQRQRX-UHFFFAOYSA-N
XLogP0.89
TPSA83.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[3-chloro-8-[(2R)-2-(trifluoromethyl)azetidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621762
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
2-[4-[8-[(2S)-2-methylazetidin-1-yl]-5-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 172621636
2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 167958877
2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
CID 122240500
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 58514905
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71801682
2-(4-ethynylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 122240514
2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 94758676
2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 90288987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone (CID 172621797) is 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is O=C(Cn1cc(-c2cn3c(Cl)cnc3c(N3CCC3)n2)cn1)N1CCNCC1.
What is the InChIKey of 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is FCROMANZTQRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN8O/c19-15-9-21-17-18(25-4-1-5-25)23-14(11-27(15)17)13-8-22-26(10-13)12-16(28)24-6-2-20-3-7-24/h8-11,20H,1-7,12H2.
What are the key properties of 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone?
2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 400.87 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(azetidin-1-yl)-3-chloroimidazo[1,2-a]pyrazin-6-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 172621797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).