N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide

C18H20N6O2 — CID 59175689

IUPACN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCOC[C@H]1CCCN1c1ccc2nc(NC(=O)c3cccnc3)cn2n1
InChIInChI=1S/C18H20N6O2/c1-26-12-14-5-3-9-23(14)17-7-6-16-20-15(11-24(16)22-17)21-18(25)13-4-2-8-19-10-13/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyUORHZABGOMNJMR-CQSZACIVSA-N
MW352.40 g/mol
LogP1.99
Rot. Bonds5

About N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide

N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (PubChem CID 59175689) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
PubChem CID59175689
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESCOC[C@H]1CCCN1c1ccc2nc(NC(=O)c3cccnc3)cn2n1
InChIInChI=1S/C18H20N6O2/c1-26-12-14-5-3-9-23(14)17-7-6-16-20-15(11-24(16)22-17)21-18(25)13-4-2-8-19-10-13/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyUORHZABGOMNJMR-CQSZACIVSA-N
XLogP1.99
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (CID 59175689) is N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is COC[C@H]1CCCN1c1ccc2nc(NC(=O)c3cccnc3)cn2n1.
What is the InChIKey of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The InChIKey is UORHZABGOMNJMR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-12-14-5-3-9-23(14)17-7-6-16-20-15(11-24(16)22-17)21-18(25)13-4-2-8-19-10-13/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59175689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).