N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine

C23H30N8O — CID 176566290

IUPACN-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine
SMILESCOCc1cc(N2C[C@H](C)N[C@@H](C)C2)cc2[nH]nc(Nc3cc(C)c4nc(C)cn4n3)c12
InChIInChI=1S/C23H30N8O/c1-13-6-20(29-31-11-16(4)25-23(13)31)26-22-21-17(12-32-5)7-18(8-19(21)27-28-22)30-9-14(2)24-15(3)10-30/h6-8,11,14-15,24H,9-10,12H2,1-5H3,(H2,26,27,28,29)/t14-,15-/m0/s1
InChIKeyYBQOXVBWKRVBFK-GJZGRUSLSA-N
MW434.55 g/mol
LogP3.30
Rot. Bonds5

About N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine

N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 176566290) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine
PubChem CID176566290
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC NameN-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine
SMILESCOCc1cc(N2C[C@H](C)N[C@@H](C)C2)cc2[nH]nc(Nc3cc(C)c4nc(C)cn4n3)c12
InChIInChI=1S/C23H30N8O/c1-13-6-20(29-31-11-16(4)25-23(13)31)26-22-21-17(12-32-5)7-18(8-19(21)27-28-22)30-9-14(2)24-15(3)10-30/h6-8,11,14-15,24H,9-10,12H2,1-5H3,(H2,26,27,28,29)/t14-,15-/m0/s1
InChIKeyYBQOXVBWKRVBFK-GJZGRUSLSA-N
XLogP3.30
TPSA95.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine (CID 176566290) is N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine is COCc1cc(N2C[C@H](C)N[C@@H](C)C2)cc2[nH]nc(Nc3cc(C)c4nc(C)cn4n3)c12.
What is the InChIKey of N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YBQOXVBWKRVBFK-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H30N8O/c1-13-6-20(29-31-11-16(4)25-23(13)31)26-22-21-17(12-32-5)7-18(8-19(21)27-28-22)30-9-14(2)24-15(3)10-30/h6-8,11,14-15,24H,9-10,12H2,1-5H3,(H2,26,27,28,29)/t14-,15-/m0/s1.
What are the key properties of N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine?
N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 434.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 176566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).