N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide

C24H24N8O — CID 176901682

IUPACN-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(-c2cnc3ccc(Nc4ccc5[nH]ncc5c4)nn23)c1
InChIInChI=1S/C24H24N8O/c1-15(2)25-14-24(33)29-18-5-3-4-16(10-18)21-13-26-23-9-8-22(31-32(21)23)28-19-6-7-20-17(11-19)12-27-30-20/h3-13,15,25H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)
InChIKeyLOOFFHPGWHFBAO-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide

N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 176901682) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID176901682
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC NameN-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(-c2cnc3ccc(Nc4ccc5[nH]ncc5c4)nn23)c1
InChIInChI=1S/C24H24N8O/c1-15(2)25-14-24(33)29-18-5-3-4-16(10-18)21-13-26-23-9-8-22(31-32(21)23)28-19-6-7-20-17(11-19)12-27-30-20/h3-13,15,25H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)
InChIKeyLOOFFHPGWHFBAO-UHFFFAOYSA-N
XLogP3.95
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide (CID 176901682) is N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cccc(-c2cnc3ccc(Nc4ccc5[nH]ncc5c4)nn23)c1.
What is the InChIKey of N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is LOOFFHPGWHFBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-15(2)25-14-24(33)29-18-5-3-4-16(10-18)21-13-26-23-9-8-22(31-32(21)23)28-19-6-7-20-17(11-19)12-27-30-20/h3-13,15,25H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,33).
What are the key properties of N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide?
N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 440.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1H-indazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 176901682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).