5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C19H16ClF2N5O2 — CID 170261125

IUPAC5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)F)c1
InChIInChI=1S/C19H16ClF2N5O2/c1-10-2-3-11(12(6-10)18(21)22)17(28)14-7-23-15-9-26(4-5-27(14)15)13-8-24-25-19(29)16(13)20/h2-3,6-8,18H,4-5,9H2,1H3,(H,25,29)
InChIKeyQKZSVXPFQZXZCM-UHFFFAOYSA-N
MW419.82 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 170261125) has the molecular formula C19H16ClF2N5O2 and a molecular weight of 419.82 g/mol. Its IUPAC name is 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID170261125
Molecular FormulaC19H16ClF2N5O2
Molecular Weight419.82 g/mol
Exact Mass419.10
IUPAC Name5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)F)c1
InChIInChI=1S/C19H16ClF2N5O2/c1-10-2-3-11(12(6-10)18(21)22)17(28)14-7-23-15-9-26(4-5-27(14)15)13-8-24-25-19(29)16(13)20/h2-3,6-8,18H,4-5,9H2,1H3,(H,25,29)
InChIKeyQKZSVXPFQZXZCM-UHFFFAOYSA-N
XLogP3.12
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.82
LogP ≤ 53.12
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-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 170261125) is 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-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-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C(F)F)c1.
What is the InChIKey of 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is QKZSVXPFQZXZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N5O2/c1-10-2-3-11(12(6-10)18(21)22)17(28)14-7-23-15-9-26(4-5-27(14)15)13-8-24-25-19(29)16(13)20/h2-3,6-8,18H,4-5,9H2,1H3,(H,25,29).
What are the key properties of 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 419.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[2-(difluoromethyl)-4-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 170261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).