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

C19H20ClN7 — CID 155517517

IUPAC4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25)
InChIKeyZNJUABQCCXFFKD-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.61
Rot. Bonds3

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

4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine (PubChem CID 155517517) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine
PubChem CID155517517
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25)
InChIKeyZNJUABQCCXFFKD-UHFFFAOYSA-N
XLogP3.61
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine (CID 155517517) is 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1.
What is the InChIKey of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine?
The InChIKey is ZNJUABQCCXFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25).
What are the key properties of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine?
4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine has a molecular weight of 381.87 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 155517517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).