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

C25H29ClN8O2 — CID 155560180

IUPACN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35)
InChIKeyZXATZKPFQCMICU-UHFFFAOYSA-N
MW509.01 g/mol
LogP3.10
Rot. Bonds6

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

N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide (PubChem CID 155560180) has the molecular formula C25H29ClN8O2 and a molecular weight of 509.01 g/mol. Its IUPAC name is N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
PubChem CID155560180
Molecular FormulaC25H29ClN8O2
Molecular Weight509.01 g/mol
Exact Mass508.21
IUPAC NameN-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CCC(Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35)
InChIKeyZXATZKPFQCMICU-UHFFFAOYSA-N
XLogP3.10
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.01
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide (CID 155560180) is N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)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]-2-morpholin-4-ylacetamide?
The InChIKey is ZXATZKPFQCMICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35).
What are the key properties of N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide?
N-[4-[[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]amino]cyclohexyl]-2-morpholin-4-ylacetamide has a molecular weight of 509.01 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155560180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).