5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C22H20ClF4N5O2 — CID 172554498

IUPAC5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(C(OCC4CC4)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C22H20ClF4N5O2/c23-19-16(9-29-30-21(19)33)31-5-6-32-17(8-28-18(32)10-31)20(34-11-12-1-2-12)14-4-3-13(24)7-15(14)22(25,26)27/h3-4,7-9,12,20H,1-2,5-6,10-11H2,(H,30,33)
InChIKeyNORKRFDDVCTYLZ-UHFFFAOYSA-N
MW497.88 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 172554498) has the molecular formula C22H20ClF4N5O2 and a molecular weight of 497.88 g/mol. Its IUPAC name is 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID172554498
Molecular FormulaC22H20ClF4N5O2
Molecular Weight497.88 g/mol
Exact Mass497.12
IUPAC Name5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCn3c(C(OCC4CC4)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl
InChIInChI=1S/C22H20ClF4N5O2/c23-19-16(9-29-30-21(19)33)31-5-6-32-17(8-28-18(32)10-31)20(34-11-12-1-2-12)14-4-3-13(24)7-15(14)22(25,26)27/h3-4,7-9,12,20H,1-2,5-6,10-11H2,(H,30,33)
InChIKeyNORKRFDDVCTYLZ-UHFFFAOYSA-N
XLogP4.31
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 172554498) is 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCn3c(C(OCC4CC4)c4ccc(F)cc4C(F)(F)F)cnc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is NORKRFDDVCTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF4N5O2/c23-19-16(9-29-30-21(19)33)31-5-6-32-17(8-28-18(32)10-31)20(34-11-12-1-2-12)14-4-3-13(24)7-15(14)22(25,26)27/h3-4,7-9,12,20H,1-2,5-6,10-11H2,(H,30,33).
What are the key properties of 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 497.88 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[cyclopropylmethoxy-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 172554498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).