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

C23H29N7O4 — CID 154605300

IUPACN-[(1S,2S)-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)N[C@H]3CC[C@@H]3OC)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)/t15-,19-/m0/s1
InChIKeyCRITZLGAZZVVTG-KXBFYZLASA-N
MW467.53 g/mol
LogP1.93
Rot. Bonds7

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

N-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154605300) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[(1S,2S)-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-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID154605300
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-[(1S,2S)-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)N[C@H]3CC[C@@H]3OC)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)/t15-,19-/m0/s1
InChIKeyCRITZLGAZZVVTG-KXBFYZLASA-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'}

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-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-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 154605300) is N-[(1S,2S)-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-[(1S,2S)-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-[(1S,2S)-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)N[C@H]3CC[C@@H]3OC)cnc12.
What is the InChIKey of N-[(1S,2S)-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-KXBFYZLASA-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)/t15-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[(1S,2S)-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-[(1S,2S)-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 154605300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).