5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol

C18H15ClF2N4O — CID 174213852

IUPAC5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCC(F)(F)C2)c2cnccc12
InChIInChI=1S/C18H15ClF2N4O/c19-10-1-2-13(15(26)7-10)16-12-4-6-22-9-14(12)17(25-24-16)23-11-3-5-18(20,21)8-11/h1-2,4,6-7,9,11,26H,3,5,8H2,(H,23,25)
InChIKeyXBURWORROVFVJD-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.65
Rot. Bonds3

About 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol

5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol (PubChem CID 174213852) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
PubChem CID174213852
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCC(F)(F)C2)c2cnccc12
InChIInChI=1S/C18H15ClF2N4O/c19-10-1-2-13(15(26)7-10)16-12-4-6-22-9-14(12)17(25-24-16)23-11-3-5-18(20,21)8-11/h1-2,4,6-7,9,11,26H,3,5,8H2,(H,23,25)
InChIKeyXBURWORROVFVJD-UHFFFAOYSA-N
XLogP4.65
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol (CID 174213852) is 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol is Oc1cc(Cl)ccc1-c1nnc(NC2CCC(F)(F)C2)c2cnccc12.
What is the InChIKey of 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is XBURWORROVFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c19-10-1-2-13(15(26)7-10)16-12-4-6-22-9-14(12)17(25-24-16)23-11-3-5-18(20,21)8-11/h1-2,4,6-7,9,11,26H,3,5,8H2,(H,23,25).
What are the key properties of 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 376.79 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 174213852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).