benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

C20H20FN7O2 — CID 143464996

IUPACbenzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(NF)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C20H20FN7O2/c1-27-11-15(9-24-27)17-10-23-19-18(26-21)25-16(12-28(17)19)7-8-22-20(29)30-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,29)(H,25,26)
InChIKeyXBCZGFIDUIMTBU-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.90
Rot. Bonds7

About benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 143464996) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID143464996
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Namebenzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(NF)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C20H20FN7O2/c1-27-11-15(9-24-27)17-10-23-19-18(26-21)25-16(12-28(17)19)7-8-22-20(29)30-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,29)(H,25,26)
InChIKeyXBCZGFIDUIMTBU-UHFFFAOYSA-N
XLogP2.90
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate with MolForge

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Related Compounds

benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
benzyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 23646546
[(1S)-1-(4-fluorophenyl)ethyl] N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
CID 122485162
benzyl 4-(7H-pyrrolo[3,2-e][1,2,3]triazolo[1,5-c]pyrimidin-1-yl)piperidine-1-carboxylate
CID 136341303
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11419380
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11431027
US9999619, Example 389
CID 53379453
US9999619, Example 393
CID 53379455
US9999619, Example 394
CID 53379456
US9999619, Example 395
CID 53379567
benzyl 3-(7H-imidazo[1,5-c]pyrrolo[3,2-e]pyrimidin-1-yl)piperidine-1-carboxylate
CID 70983629

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 143464996) is benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is Cn1cc(-c2cnc3c(NF)nc(CCNC(=O)OCc4ccccc4)cn23)cn1.
What is the InChIKey of benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is XBCZGFIDUIMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-27-11-15(9-24-27)17-10-23-19-18(26-21)25-16(12-28(17)19)7-8-22-20(29)30-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,29)(H,25,26).
What are the key properties of benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 409.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[8-(fluoroamino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 143464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).