N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C19H15N5O2 — CID 134551554

IUPACN-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1cncc(NC(=O)c2ccnn3cc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H15N5O2/c1-26-15-9-14(10-20-11-15)22-19(25)16-7-8-21-24-12-17(23-18(16)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25)
InChIKeyFSDWOHNRBITTOF-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.05
Rot. Bonds4

About N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551554) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551554
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1cncc(NC(=O)c2ccnn3cc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H15N5O2/c1-26-15-9-14(10-20-11-15)22-19(25)16-7-8-21-24-12-17(23-18(16)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25)
InChIKeyFSDWOHNRBITTOF-UHFFFAOYSA-N
XLogP3.05
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551554) is N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is COc1cncc(NC(=O)c2ccnn3cc(-c4ccccc4)nc23)c1.
What is the InChIKey of N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is FSDWOHNRBITTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-15-9-14(10-20-11-15)22-19(25)16-7-8-21-24-12-17(23-18(16)24)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,25).
What are the key properties of N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-pyridinyl)-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).