N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C23H22N6O2 — CID 134551592

IUPACN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1
InChIInChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)
InChIKeyMENVSADYTLLXLP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551592) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551592
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1
InChIInChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)
InChIKeyMENVSADYTLLXLP-UHFFFAOYSA-N
XLogP3.27
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551592) is N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is MENVSADYTLLXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).