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

C18H11F3N6O — CID 139357766

IUPAC3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
InChIInChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28)
InChIKeyLGSXKCTXAVBLOC-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.03
Rot. Bonds4

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

3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide (PubChem CID 139357766) has the molecular formula C18H11F3N6O and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
PubChem CID139357766
Molecular FormulaC18H11F3N6O
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC Name3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1
InChIInChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28)
InChIKeyLGSXKCTXAVBLOC-UHFFFAOYSA-N
XLogP3.03
TPSA99.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
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4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
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4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The IUPAC name of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide (CID 139357766) is 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(-c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)c1.
What is the InChIKey of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
The InChIKey is LGSXKCTXAVBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O/c19-11-2-1-9(17(22)28)5-10(11)12-3-4-23-18(26-12)14-6-25-15-7-24-13(16(20)21)8-27(14)15/h1-8,16H,(H2,22,28).
What are the key properties of 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide?
3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide has a molecular weight of 384.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 139357766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).