N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide

C16H15ClF2N4O3 — CID 154742184

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C16H15ClF2N4O3/c17-11-1-2-13(26-15(18)19)9(5-11)7-20-16(25)23-4-3-12-10(8-23)6-14(24)22-21-12/h1-2,5-6,15H,3-4,7-8H2,(H,20,25)(H,22,24)
InChIKeyCLKOKWMNOBECLP-UHFFFAOYSA-N
MW384.77 g/mol
LogP2.29
Rot. Bonds4

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 154742184) has the molecular formula C16H15ClF2N4O3 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
PubChem CID154742184
Molecular FormulaC16H15ClF2N4O3
Molecular Weight384.77 g/mol
Exact Mass384.08
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1OC(F)F)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C16H15ClF2N4O3/c17-11-1-2-13(26-15(18)19)9(5-11)7-20-16(25)23-4-3-12-10(8-23)6-14(24)22-21-12/h1-2,5-6,15H,3-4,7-8H2,(H,20,25)(H,22,24)
InChIKeyCLKOKWMNOBECLP-UHFFFAOYSA-N
XLogP2.29
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide (CID 154742184) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide is O=C(NCc1cc(Cl)ccc1OC(F)F)N1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide?
The InChIKey is CLKOKWMNOBECLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O3/c17-11-1-2-13(26-15(18)19)9(5-11)7-20-16(25)23-4-3-12-10(8-23)6-14(24)22-21-12/h1-2,5-6,15H,3-4,7-8H2,(H,20,25)(H,22,24).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 384.77 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 154742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).