6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C18H20F2N6 — CID 153331406

IUPAC6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6/c1-12-4-2-3-7-25(10-12)15-5-6-21-18(24-15)14-8-23-16-9-22-13(17(19)20)11-26(14)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3
InChIKeyQZLMUCWFGLRENR-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.75
Rot. Bonds3

About 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 153331406) has the molecular formula C18H20F2N6 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID153331406
Molecular FormulaC18H20F2N6
Molecular Weight358.40 g/mol
Exact Mass358.17
IUPAC Name6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6/c1-12-4-2-3-7-25(10-12)15-5-6-21-18(24-15)14-8-23-16-9-22-13(17(19)20)11-26(14)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3
InChIKeyQZLMUCWFGLRENR-UHFFFAOYSA-N
XLogP3.75
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
(3S)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 139357990
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139358686
7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 139357998
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 139357987
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 153331406) is 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is QZLMUCWFGLRENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6/c1-12-4-2-3-7-25(10-12)15-5-6-21-18(24-15)14-8-23-16-9-22-13(17(19)20)11-26(14)16/h5-6,8-9,11-12,17H,2-4,7,10H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 358.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 153331406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).