N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C23H29N7O4 — CID 154605307

IUPACN-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nn2c(C(=O)NC3CCC3OC)cnc12
InChIInChI=1S/C23H29N7O4/c1-24-17-12-20(26-16-4-3-9-29(23(16)32)14-7-10-34-11-8-14)28-30-18(13-25-21(17)30)22(31)27-15-5-6-19(15)33-2/h3-4,9,12-15,19,24H,5-8,10-11H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyCRITZLGAZZVVTG-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.93
Rot. Bonds7

About N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154605307) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154605307
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCOCC3)c2=O)nn2c(C(=O)NC3CCC3OC)cnc12
InChIInChI=1S/C23H29N7O4/c1-24-17-12-20(26-16-4-3-9-29(23(16)32)14-7-10-34-11-8-14)28-30-18(13-25-21(17)30)22(31)27-15-5-6-19(15)33-2/h3-4,9,12-15,19,24H,5-8,10-11H2,1-2H3,(H,26,28)(H,27,31)
InChIKeyCRITZLGAZZVVTG-UHFFFAOYSA-N
XLogP1.93
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605282
N-[(1R,2R)-2-methoxycyclobutyl]-6-[1-[(3R,4S)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605225
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449801
methyl 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
N-[(1R,2S)-2-fluorocyclopropyl]-6-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155514076
5-[[1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200043
N-cyclopropyl-8-(methylamino)-6-[[1-(6-methylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 155516134
7-(methylamino)-N-[(1S,2R)-2-methylcyclobutyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569492
N-[(1S,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560721
N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559874
6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 154605307) is N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nn2c(C(=O)NC3CCC3OC)cnc12.
What is the InChIKey of N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CRITZLGAZZVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-24-17-12-20(26-16-4-3-9-29(23(16)32)14-7-10-34-11-8-14)28-30-18(13-25-21(17)30)22(31)27-15-5-6-19(15)33-2/h3-4,9,12-15,19,24H,5-8,10-11H2,1-2H3,(H,26,28)(H,27,31).
What are the key properties of N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).