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

C22H21ClN6O — CID 71007350

IUPAC2-(2-chlorophenyl)-N-[4-[(3S)-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-/m0/s1
InChIKeyFEDDHEIASVADKE-INIZCTEOSA-N
MW420.90 g/mol
LogP4.32
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007350) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID71007350
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name2-(2-chlorophenyl)-N-[4-[(3S)-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-/m0/s1
InChIKeyFEDDHEIASVADKE-INIZCTEOSA-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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Related Compounds

5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 11178756
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11590799
N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70982443
(3R)-1-(3-((2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-yl)amino)-4-pyridinyl)-3-piperidinol
CID 70983922
2-(2-chlorophenyl)-N-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
CID 71007332
5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174784
(11S)-5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174798
5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4-methyl-13-oxa-3,6,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 165174810
5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,13-dimethyl-10-oxa-3,6,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-amine
CID 165174816
(11R)-5-(2-chloro-4-pyridinyl)-N-[(4-fluoropiperidin-4-yl)methyl]-4,11-dimethyl-12-oxa-3,6,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-amine
CID 165174836
5-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11595943
2-[7-[(2-Chloro-3,6-difluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-5-(4-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 53469604

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 71007350) is 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(3S)-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-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is FEDDHEIASVADKE-INIZCTEOSA-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-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?
2-(2-chlorophenyl)-N-[4-[(3S)-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-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).