tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine

C40H54N10O2 — CID 175781775

IUPACtert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine
SMILESCC(C)(C)OC(=O)NCC12CC(CN3CCn4ccnc4C3)(C1)C2.Nc1nccc2c(NCC34CC(CN5CCn6ccnc6C5)(C3)C4)cccc12
InChIInChI=1S/C22H26N6.C18H28N4O2/c23-20-17-2-1-3-18(16(17)4-5-25-20)26-14-21-11-22(12-21,13-21)15-27-8-9-28-7-6-24-19(28)10-27;1-16(2,3)24-15(23)20-12-17-9-18(10-17,11-17)13-21-6-7-22-5-4-19-14(22)8-21/h1-7,26H,8-15H2,(H2,23,25);4-5H,6-13H2,1-3H3,(H,20,23)
InChIKeyBAWPVHKEJGPGKU-UHFFFAOYSA-N
MW706.94 g/mol
LogP5.51
Rot. Bonds9

About tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine

tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine (PubChem CID 175781775) has the molecular formula C40H54N10O2 and a molecular weight of 706.94 g/mol. Its IUPAC name is tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine.

Molecular Properties

Compound Nametert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine
PubChem CID175781775
Molecular FormulaC40H54N10O2
Molecular Weight706.94 g/mol
Exact Mass706.44
IUPAC Nametert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine
SMILESCC(C)(C)OC(=O)NCC12CC(CN3CCn4ccnc4C3)(C1)C2.Nc1nccc2c(NCC34CC(CN5CCn6ccnc6C5)(C3)C4)cccc12
InChIInChI=1S/C22H26N6.C18H28N4O2/c23-20-17-2-1-3-18(16(17)4-5-25-20)26-14-21-11-22(12-21,13-21)15-27-8-9-28-7-6-24-19(28)10-27;1-16(2,3)24-15(23)20-12-17-9-18(10-17,11-17)13-21-6-7-22-5-4-19-14(22)8-21/h1-7,26H,8-15H2,(H2,23,25);4-5H,6-13H2,1-3H3,(H,20,23)
InChIKeyBAWPVHKEJGPGKU-UHFFFAOYSA-N
XLogP5.51
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.94
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine with MolForge

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Related Compounds

[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 164902446
tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
CID 102730031
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate
CID 63026304
2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenylpropanamide
CID 63026650
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropanoate
CID 63014330
N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
CID 63026878
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025553
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
CID 55143465
tert-butyl N-[[3-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
CID 155247579
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 55151442
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
CID 63024508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine?
The IUPAC name of tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine (CID 175781775) is tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine.
What is the SMILES notation for tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine?
The canonical SMILES for tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine is CC(C)(C)OC(=O)NCC12CC(CN3CCn4ccnc4C3)(C1)C2.Nc1nccc2c(NCC34CC(CN5CCn6ccnc6C5)(C3)C4)cccc12.
What is the InChIKey of tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine?
The InChIKey is BAWPVHKEJGPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.C18H28N4O2/c23-20-17-2-1-3-18(16(17)4-5-25-20)26-14-21-11-22(12-21,13-21)15-27-8-9-28-7-6-24-19(28)10-27;1-16(2,3)24-15(23)20-12-17-9-18(10-17,11-17)13-21-6-7-22-5-4-19-14(22)8-21/h1-7,26H,8-15H2,(H2,23,25);4-5H,6-13H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine?
tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine has a molecular weight of 706.94 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate;5-N-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]isoquinoline-1,5-diamine is sourced from PubChem (CID 175781775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).