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

C23H22N6O2 — CID 134551945

IUPACN-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H22N6O2/c1-16-15-31-12-11-28(16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-14-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyQCOOCCREMZWFAR-INIZCTEOSA-N
MW414.47 g/mol
LogP3.27
Rot. Bonds4

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

N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551945) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551945
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C23H22N6O2/c1-16-15-31-12-11-28(16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-14-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyQCOOCCREMZWFAR-INIZCTEOSA-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-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551945) is N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is QCOOCCREMZWFAR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-15-31-12-11-28(16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-14-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13-14,16H,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-[(3S)-3-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-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).