N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide

C26H29N7O2 — CID 71525987

IUPACN-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(CO)NC(=O)c1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C26H29N7O2/c1-17(16-34)28-26(35)20-8-3-7-19(14-20)21-15-22(25-27-11-13-33(25)31-21)29-23-9-4-10-24(30-23)32-12-5-6-18(32)2/h3-4,7-11,13-15,17-18,34H,5-6,12,16H2,1-2H3,(H,28,35)(H,29,30)
InChIKeyDPTGCERBKLOGDA-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.63
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide

N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 71525987) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID71525987
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(CO)NC(=O)c1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C26H29N7O2/c1-17(16-34)28-26(35)20-8-3-7-19(14-20)21-15-22(25-27-11-13-33(25)31-21)29-23-9-4-10-24(30-23)32-12-5-6-18(32)2/h3-4,7-11,13-15,17-18,34H,5-6,12,16H2,1-2H3,(H,28,35)(H,29,30)
InChIKeyDPTGCERBKLOGDA-UHFFFAOYSA-N
XLogP3.63
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 71525987) is N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is CC(CO)NC(=O)c1cccc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is DPTGCERBKLOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17(16-34)28-26(35)20-8-3-7-19(14-20)21-15-22(25-27-11-13-33(25)31-21)29-23-9-4-10-24(30-23)32-12-5-6-18(32)2/h3-4,7-11,13-15,17-18,34H,5-6,12,16H2,1-2H3,(H,28,35)(H,29,30).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 471.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 71525987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).