6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

C19H19ClFN5O2 — CID 118139929

IUPAC6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@H]4F)cnc23)cc1
InChIInChI=1S/C19H19ClFN5O2/c1-25(10-11-3-5-12(28-2)6-4-11)15-8-17(20)24-26-16(9-22-18(15)26)19(27)23-14-7-13(14)21/h3-6,8-9,13-14H,7,10H2,1-2H3,(H,23,27)/t13-,14-/m1/s1
InChIKeyLEDPUKKIHDIZTB-ZIAGYGMSSA-N
MW403.85 g/mol
LogP2.87
Rot. Bonds6

About 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118139929) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID118139929
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@H]4F)cnc23)cc1
InChIInChI=1S/C19H19ClFN5O2/c1-25(10-11-3-5-12(28-2)6-4-11)15-8-17(20)24-26-16(9-22-18(15)26)19(27)23-14-7-13(14)21/h3-6,8-9,13-14H,7,10H2,1-2H3,(H,23,27)/t13-,14-/m1/s1
InChIKeyLEDPUKKIHDIZTB-ZIAGYGMSSA-N
XLogP2.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 118139929) is 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@H]4F)cnc23)cc1.
What is the InChIKey of 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LEDPUKKIHDIZTB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-25(10-11-3-5-12(28-2)6-4-11)15-8-17(20)24-26-16(9-22-18(15)26)19(27)23-14-7-13(14)21/h3-6,8-9,13-14H,7,10H2,1-2H3,(H,23,27)/t13-,14-/m1/s1.
What are the key properties of 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 403.85 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R,2R)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118139929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).