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

C23H29N7O4 — CID 154605282

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

N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154605282) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 154605282
• Molecular Formula: C23H29N7O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.23
• IUPAC Name: N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC(OC)C3)c2=O)nn2c(C(=O)NC3CC[C@@H]3OC)cnc12
• InChI: InChI=1S/C23H29N7O4/c1-24-17-11-20(26-16-5-4-8-29(23(16)32)13-9-14(10-13)33-2)28-30-18(12-25-21(17)30)22(31)27-15-6-7-19(15)34-3/h4-5,8,11-15,19,24H,6-7,9-10H2,1-3H3,(H,26,28)(H,27,31)/t13?,14?,15?,19-/m0/s1
• InChIKey: ITYVEKNDMMEZPI-OKTJVVOYSA-N
• XLogP: 1.93
• TPSA: 123.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 154605282) is N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(OC)C3)c2=O)nn2c(C(=O)NC3CC[C@@H]3OC)cnc12.

What is the InChIKey of N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is ITYVEKNDMMEZPI-OKTJVVOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-24-17-11-20(26-16-5-4-8-29(23(16)32)13-9-14(10-13)33-2)28-30-18(12-25-21(17)30)22(31)27-15-6-7-19(15)34-3/h4-5,8,11-15,19,24H,6-7,9-10H2,1-3H3,(H,26,28)(H,27,31)/t13?,14?,15?,19-/m0/s1.

What are the key properties of N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-methoxycyclobutyl]-6-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154605282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).