N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane

C24H31FN8O2 — CID 145187442

IUPACN-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane
SMILESC=CC(=O)NC1CN(c2cn3c(C45CC4C5)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.CC
InChIInChI=1S/C22H25FN8O2.C2H6/c1-4-18(32)25-14-10-30(8-13(14)23)17-11-31-16(22-5-12(22)6-22)7-24-20(31)19(27-17)26-15-9-29(2)28-21(15)33-3;1-2/h4,7,9,11-14H,1,5-6,8,10H2,2-3H3,(H,25,32)(H,26,27);1-2H3
InChIKeyIMTZAYBWAOXHDM-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane

N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane (PubChem CID 145187442) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane.

Molecular Properties

Compound NameN-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane
PubChem CID145187442
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC NameN-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane
SMILESC=CC(=O)NC1CN(c2cn3c(C45CC4C5)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.CC
InChIInChI=1S/C22H25FN8O2.C2H6/c1-4-18(32)25-14-10-30(8-13(14)23)17-11-31-16(22-5-12(22)6-22)7-24-20(31)19(27-17)26-15-9-29(2)28-21(15)33-3;1-2/h4,7,9,11-14H,1,5-6,8,10H2,2-3H3,(H,25,32)(H,26,27);1-2H3
InChIKeyIMTZAYBWAOXHDM-UHFFFAOYSA-N
XLogP2.73
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane with MolForge

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Related Compounds

N-[1-[7-(1-bicyclo[1.1.1]pentanyl)-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;N-[1-[3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide;methane;N-[1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[1,2-a]pyrazin-6-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
CID 162194415
N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
CID 135225981
N-[(3R,4S)-1-[6-[(1-ethyl-3-methoxypyrazol-4-yl)amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
CID 118073635
N-[(3R,4R)-1-[6-[(1-ethyl-3-methoxypyrazol-4-yl)amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
CID 118073630
1-[6-[[3-chloro-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylideneimidazo[1,2-c]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one;3-cyclobutyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;3-cyclopropyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one;N-[4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]prop-2-enamide
CID 159142864
methyl (E)-2-[[7-(1-bicyclo[1.1.0]butanyl)-2-[3-fluoro-4-(prop-2-enoylamino)pyrrolidin-1-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]amino]-N-methylpent-2-enimidate
CID 145187266
N-[1-[9-ethyl-6-[[3-methoxy-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]purin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
CID 123823380
N-[(3R,4R)-1-[9-ethyl-6-[[3-methoxy-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]purin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide
CID 118073694
N-[4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]-N-methylprop-2-enamide
CID 135128896
2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 135225992
tert-butyl 2-[4-[2-[5-[4-[[9-tert-butyl-2-[(3R,4R)-3-fluoro-4-(prop-2-enoylamino)pyrrolidin-1-yl]purin-6-yl]amino]-3-methoxypyrazol-1-yl]pentylamino]-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 167458030
3-(1-bicyclo[1.1.1]pentanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
CID 122692669

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane?
The IUPAC name of N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane (CID 145187442) is N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane.
What is the SMILES notation for N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane?
The canonical SMILES for N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane is C=CC(=O)NC1CN(c2cn3c(C45CC4C5)cnc3c(Nc3cn(C)nc3OC)n2)CC1F.CC.
What is the InChIKey of N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane?
The InChIKey is IMTZAYBWAOXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2.C2H6/c1-4-18(32)25-14-10-30(8-13(14)23)17-11-31-16(22-5-12(22)6-22)7-24-20(31)19(27-17)26-15-9-29(2)28-21(15)33-3;1-2/h4,7,9,11-14H,1,5-6,8,10H2,2-3H3,(H,25,32)(H,26,27);1-2H3.
What are the key properties of N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane?
N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane has a molecular weight of 482.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-bicyclo[1.1.0]butanyl)-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-6-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide;ethane is sourced from PubChem (CID 145187442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).