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

C25H27N7O2 — CID 71525985

IUPACN-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)NCCO)c3)nn3ccnc23)n1
InChIInChI=1S/C25H27N7O2/c1-17-5-4-12-31(17)23-9-3-8-22(29-23)28-21-16-20(30-32-13-10-26-24(21)32)18-6-2-7-19(15-18)25(34)27-11-14-33/h2-3,6-10,13,15-17,33H,4-5,11-12,14H2,1H3,(H,27,34)(H,28,29)
InChIKeyXXFVZLCXZQEKMB-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.25
Rot. Bonds7

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

N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 71525985) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID71525985
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)NCCO)c3)nn3ccnc23)n1
InChIInChI=1S/C25H27N7O2/c1-17-5-4-12-31(17)23-9-3-8-22(29-23)28-21-16-20(30-32-13-10-26-24(21)32)18-6-2-7-19(15-18)25(34)27-11-14-33/h2-3,6-10,13,15-17,33H,4-5,11-12,14H2,1H3,(H,27,34)(H,28,29)
InChIKeyXXFVZLCXZQEKMB-UHFFFAOYSA-N
XLogP3.25
TPSA107.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 71525985) is N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is CC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)NCCO)c3)nn3ccnc23)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is XXFVZLCXZQEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-17-5-4-12-31(17)23-9-3-8-22(29-23)28-21-16-20(30-32-13-10-26-24(21)32)18-6-2-7-19(15-18)25(34)27-11-14-33/h2-3,6-10,13,15-17,33H,4-5,11-12,14H2,1H3,(H,27,34)(H,28,29).
What are the key properties of N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 457.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 71525985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).