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

C19H23F2N5O — CID 140514400

IUPAC(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one
SMILESNc1c(C2CC2)nc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)cc1F)C2
InChIInChI=1S/C19H23F2N5O/c20-13-4-3-12(15(21)8-13)7-14(22)9-17(27)25-5-6-26-16(10-25)24-18(19(26)23)11-1-2-11/h3-4,8,11,14H,1-2,5-7,9-10,22-23H2/t14-/m1/s1
InChIKeyIZBRQBSURZVMGR-CQSZACIVSA-N
MW375.42 g/mol
LogP1.92
Rot. Bonds5

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

(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one (PubChem CID 140514400) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one
PubChem CID140514400
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one
SMILESNc1c(C2CC2)nc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)cc1F)C2
InChIInChI=1S/C19H23F2N5O/c20-13-4-3-12(15(21)8-13)7-14(22)9-17(27)25-5-6-26-16(10-25)24-18(19(26)23)11-1-2-11/h3-4,8,11,14H,1-2,5-7,9-10,22-23H2/t14-/m1/s1
InChIKeyIZBRQBSURZVMGR-CQSZACIVSA-N
XLogP1.92
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 20628250
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride
CID 131738206
1-(2-acetyl-1,3-thiazolidin-3-yl)-3-amino-4-(2,4-difluorophenyl)butan-1-one
CID 143724052
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10200270
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;phosphoric acid
CID 71253039
(3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10252219
3-amino-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one
CID 20628245
3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 20628271
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]butan-1-one;2,2,2-trifluoroacetaldehyde
CID 158988484
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one acetate
CID 86647026
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one sulfate
CID 71724478
3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;formaldehyde
CID 143429048

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one (CID 140514400) is (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one is Nc1c(C2CC2)nc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)cc1F)C2.
What is the InChIKey of (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one?
The InChIKey is IZBRQBSURZVMGR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23F2N5O/c20-13-4-3-12(15(21)8-13)7-14(22)9-17(27)25-5-6-26-16(10-25)24-18(19(26)23)11-1-2-11/h3-4,8,11,14H,1-2,5-7,9-10,22-23H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one?
(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one has a molecular weight of 375.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one is sourced from PubChem (CID 140514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).