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

C21H22ClN7O — CID 155551979

IUPACN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30)
InChIKeyIFDGNKABCXNEJL-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.79
Rot. Bonds4

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

N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide (PubChem CID 155551979) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide
PubChem CID155551979
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC NameN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30)
InChIKeyIFDGNKABCXNEJL-UHFFFAOYSA-N
XLogP3.79
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide (CID 155551979) is N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1.
What is the InChIKey of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide?
The InChIKey is IFDGNKABCXNEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30).
What are the key properties of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide?
N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide has a molecular weight of 423.91 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 155551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).