5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C17H15Cl2N5O — CID 138483892

IUPAC5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3Cl)C2)c1Cl
InChIInChI=1S/C17H15Cl2N5O/c18-12-4-2-1-3-11(12)8-24-10-20-13-9-23(6-5-14(13)24)15-7-21-22-17(25)16(15)19/h1-4,7,10H,5-6,8-9H2,(H,22,25)
InChIKeyBPVHNBQSUKTAKN-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138483892) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138483892
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3Cl)C2)c1Cl
InChIInChI=1S/C17H15Cl2N5O/c18-12-4-2-1-3-11(12)8-24-10-20-13-9-23(6-5-14(13)24)15-7-21-22-17(25)16(15)19/h1-4,7,10H,5-6,8-9H2,(H,22,25)
InChIKeyBPVHNBQSUKTAKN-UHFFFAOYSA-N
XLogP2.88
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138483892) is 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3Cl)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is BPVHNBQSUKTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c18-12-4-2-1-3-11(12)8-24-10-20-13-9-23(6-5-14(13)24)15-7-21-22-17(25)16(15)19/h1-4,7,10H,5-6,8-9H2,(H,22,25).
What are the key properties of 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 376.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).