6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine

C19H20ClN7 — CID 155546098

IUPAC6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCN1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C19H20ClN7/c1-26-6-4-14(5-7-26)23-16-9-18(20)25-27-17(11-21-19(16)27)12-2-3-15-13(8-12)10-22-24-15/h2-3,8-11,14,23H,4-7H2,1H3,(H,22,24)
InChIKeyXJJBWKSFMIHVEL-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.43
Rot. Bonds3

About 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155546098) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID155546098
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCN1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C19H20ClN7/c1-26-6-4-14(5-7-26)23-16-9-18(20)25-27-17(11-21-19(16)27)12-2-3-15-13(8-12)10-22-24-15/h2-3,8-11,14,23H,4-7H2,1H3,(H,22,24)
InChIKeyXJJBWKSFMIHVEL-UHFFFAOYSA-N
XLogP3.43
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine (CID 155546098) is 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine is CN1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1.
What is the InChIKey of 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is XJJBWKSFMIHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7/c1-26-6-4-14(5-7-26)23-16-9-18(20)25-27-17(11-21-19(16)27)12-2-3-15-13(8-12)10-22-24-15/h2-3,8-11,14,23H,4-7H2,1H3,(H,22,24).
What are the key properties of 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 381.87 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155546098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).