(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one

C18H25FN4O — CID 143120694

IUPAC(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one
SMILESCCc1cn2c(n1)CN(C(=O)C[C@H](N)CC1=CCCC=C1F)CC2
InChIInChI=1S/C18H25FN4O/c1-2-15-11-22-7-8-23(12-17(22)21-15)18(24)10-14(20)9-13-5-3-4-6-16(13)19/h5-6,11,14H,2-4,7-10,12,20H2,1H3/t14-/m1/s1
InChIKeyASFNUPDGPVDRLQ-CQSZACIVSA-N
MW332.42 g/mol
LogP2.47
Rot. Bonds5

About (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one

(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one (PubChem CID 143120694) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one
PubChem CID143120694
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one
SMILESCCc1cn2c(n1)CN(C(=O)C[C@H](N)CC1=CCCC=C1F)CC2
InChIInChI=1S/C18H25FN4O/c1-2-15-11-22-7-8-23(12-17(22)21-15)18(24)10-14(20)9-13-5-3-4-6-16(13)19/h5-6,11,14H,2-4,7-10,12,20H2,1H3/t14-/m1/s1
InChIKeyASFNUPDGPVDRLQ-CQSZACIVSA-N
XLogP2.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one (CID 143120694) is (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one is CCc1cn2c(n1)CN(C(=O)C[C@H](N)CC1=CCCC=C1F)CC2.
What is the InChIKey of (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one?
The InChIKey is ASFNUPDGPVDRLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-2-15-11-22-7-8-23(12-17(22)21-15)18(24)10-14(20)9-13-5-3-4-6-16(13)19/h5-6,11,14H,2-4,7-10,12,20H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one?
(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one has a molecular weight of 332.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(6-fluorocyclohexa-1,5-dien-1-yl)butan-1-one is sourced from PubChem (CID 143120694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).