N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide

C18H19N5O2 — CID 91762352

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC(Cc1ccccn1)C1CC(O)C1)c1cnc2cccnn12
InChIInChI=1S/C18H19N5O2/c24-14-8-12(9-14)15(10-13-4-1-2-6-19-13)22-18(25)16-11-20-17-5-3-7-21-23(16)17/h1-7,11-12,14-15,24H,8-10H2,(H,22,25)
InChIKeyULFKMDQDAAIXLD-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.24
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91762352) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID91762352
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC(Cc1ccccn1)C1CC(O)C1)c1cnc2cccnn12
InChIInChI=1S/C18H19N5O2/c24-14-8-12(9-14)15(10-13-4-1-2-6-19-13)22-18(25)16-11-20-17-5-3-7-21-23(16)17/h1-7,11-12,14-15,24H,8-10H2,(H,22,25)
InChIKeyULFKMDQDAAIXLD-UHFFFAOYSA-N
XLogP1.24
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
CID 91785265
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol
CID 91767951
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91767171

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 91762352) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC(Cc1ccccn1)C1CC(O)C1)c1cnc2cccnn12.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ULFKMDQDAAIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-14-8-12(9-14)15(10-13-4-1-2-6-19-13)22-18(25)16-11-20-17-5-3-7-21-23(16)17/h1-7,11-12,14-15,24H,8-10H2,(H,22,25).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91762352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).