2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

C22H21ClN6O — CID 71007332

IUPAC2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESClc1ccccc1-c1ccc2cnc(Nc3cnccc3O[C@@H]3CCCNC3)n2n1
InChIInChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-26-22(29(15)28-19)27-20-14-25-11-9-21(20)30-16-4-3-10-24-13-16/h1-2,5-9,11-12,14,16,24H,3-4,10,13H2,(H,26,27)/t16-/m1/s1
InChIKeyFEDDHEIASVADKE-MRXNPFEDSA-N
MW420.90 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007332) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007332
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
SMILESClc1ccccc1-c1ccc2cnc(Nc3cnccc3O[C@@H]3CCCNC3)n2n1
InChIInChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-26-22(29(15)28-19)27-20-14-25-11-9-21(20)30-16-4-3-10-24-13-16/h1-2,5-9,11-12,14,16,24H,3-4,10,13H2,(H,26,27)/t16-/m1/s1
InChIKeyFEDDHEIASVADKE-MRXNPFEDSA-N
XLogP4.32
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 71007332) is 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is Clc1ccccc1-c1ccc2cnc(Nc3cnccc3O[C@@H]3CCCNC3)n2n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is FEDDHEIASVADKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN6O/c23-18-6-2-1-5-17(18)19-8-7-15-12-26-22(29(15)28-19)27-20-14-25-11-9-21(20)30-16-4-3-10-24-13-16/h1-2,5-9,11-12,14,16,24H,3-4,10,13H2,(H,26,27)/t16-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 420.90 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).