3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone

C24H33ClN8O3 — CID 143816526

IUPAC3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCCCC2)cc1.Nc1nc(N)c(C(=O)NC2=NCCN2)nc1Cl
InChIInChI=1S/C16H23NO2.C8H10ClN7O/c1-2-6-14-7-9-15(10-8-14)19-13-16(18)17-11-4-3-5-12-17;9-4-6(11)15-5(10)3(14-4)7(17)16-8-12-1-2-13-8/h7-10H,2-6,11-13H2,1H3;1-2H2,(H4,10,11,15)(H2,12,13,16,17)
InChIKeyASEQXWPVHLUGIE-UHFFFAOYSA-N
MW517.03 g/mol
LogP2.01
Rot. Bonds6

About 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone

3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone (PubChem CID 143816526) has the molecular formula C24H33ClN8O3 and a molecular weight of 517.03 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone
PubChem CID143816526
Molecular FormulaC24H33ClN8O3
Molecular Weight517.03 g/mol
Exact Mass516.24
IUPAC Name3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCCCC2)cc1.Nc1nc(N)c(C(=O)NC2=NCCN2)nc1Cl
InChIInChI=1S/C16H23NO2.C8H10ClN7O/c1-2-6-14-7-9-15(10-8-14)19-13-16(18)17-11-4-3-5-12-17;9-4-6(11)15-5(10)3(14-4)7(17)16-8-12-1-2-13-8/h7-10H,2-6,11-13H2,1H3;1-2H2,(H4,10,11,15)(H2,12,13,16,17)
InChIKeyASEQXWPVHLUGIE-UHFFFAOYSA-N
XLogP2.01
TPSA160.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
CID 143816561
chloromethane;3,5-diamino-6-chloro-N-[1-[3-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propyl]piperidin-1-ium-3-yl]pyrazine-2-carboxamide;1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 144787490
3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447435
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate
CID 11584763
3,5-diamino-6-chloro-N-[3-[3-[4-(2,3-dihydroxypropoxy)phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide
CID 76788857
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-[2-(4-fluorocyclohexa-1,3-dien-1-yl)ethoxy]phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
CID 130461500
3,5-diamino-6-chloro-N-[1-[3-(4-ethoxyphenyl)propyl]piperidin-3-yl]pyrazine-2-carboxamide
CID 137445618
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone?
The IUPAC name of 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone (CID 143816526) is 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone?
The canonical SMILES for 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone is CCCc1ccc(OCC(=O)N2CCCCC2)cc1.Nc1nc(N)c(C(=O)NC2=NCCN2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone?
The InChIKey is ASEQXWPVHLUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.C8H10ClN7O/c1-2-6-14-7-9-15(10-8-14)19-13-16(18)17-11-4-3-5-12-17;9-4-6(11)15-5(10)3(14-4)7(17)16-8-12-1-2-13-8/h7-10H,2-6,11-13H2,1H3;1-2H2,(H4,10,11,15)(H2,12,13,16,17).
What are the key properties of 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone?
3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone has a molecular weight of 517.03 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazine-2-carboxamide;1-piperidin-1-yl-2-(4-propylphenoxy)ethanone is sourced from PubChem (CID 143816526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).