[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

C21H21FN8O — CID 53484170

IUPAC[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2F)n1
InChIInChI=1S/C21H21FN8O/c1-13-12-30-18(15-9-25-26-10-15)11-24-20(30)19(27-13)28-17-3-2-14(8-16(17)22)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
InChIKeyOOGMREBBHKGEMT-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.36
Rot. Bonds4

About [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 53484170) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID53484170
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC Name[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2F)n1
InChIInChI=1S/C21H21FN8O/c1-13-12-30-18(15-9-25-26-10-15)11-24-20(30)19(27-13)28-17-3-2-14(8-16(17)22)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
InChIKeyOOGMREBBHKGEMT-UHFFFAOYSA-N
XLogP2.36
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,2-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
CID 53484182
4-[[2-[4-[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorobenzoyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156701196
[2-chloro-4-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 56665628
1-(azepan-1-yl)-2-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]ethanone
CID 71044825
2-[4-[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorobenzoyl]piperazin-1-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide
CID 156701214
(2S,4R)-1-[(2S)-2-[3-[2-[3-[4-[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorobenzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 156701205
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine
CID 71044775
N-[4-(ethylaminomethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59503767
3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144431
3-[(3,3-difluoroazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;2,2,2-trifluoroacetic acid
CID 53324537
N-[5-[(4,4-difluoroazepan-1-yl)methyl]thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 71044787
3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 50994742

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 53484170) is [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2F)n1.
What is the InChIKey of [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is OOGMREBBHKGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O/c1-13-12-30-18(15-9-25-26-10-15)11-24-20(30)19(27-13)28-17-3-2-14(8-16(17)22)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28).
What are the key properties of [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 420.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 53484170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).