N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide

C27H23FN6O2 — CID 144738505

IUPACN-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NC2C[C@H](c3cccc(F)c3)N(c3ccc4nccn4n3)C2)nc2ccccc12
InChIInChI=1S/C27H23FN6O2/c1-36-24-15-22(31-21-8-3-2-7-20(21)24)27(35)30-19-14-23(17-5-4-6-18(28)13-17)33(16-19)26-10-9-25-29-11-12-34(25)32-26/h2-13,15,19,23H,14,16H2,1H3,(H,30,35)/t19?,23-/m1/s1
InChIKeyNNOPECUOUOLECT-LEQGEALCSA-N
MW482.52 g/mol
LogP4.18
Rot. Bonds5

About N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide

N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide (PubChem CID 144738505) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide
PubChem CID144738505
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC NameN-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NC2C[C@H](c3cccc(F)c3)N(c3ccc4nccn4n3)C2)nc2ccccc12
InChIInChI=1S/C27H23FN6O2/c1-36-24-15-22(31-21-8-3-2-7-20(21)24)27(35)30-19-14-23(17-5-4-6-18(28)13-17)33(16-19)26-10-9-25-29-11-12-34(25)32-26/h2-13,15,19,23H,14,16H2,1H3,(H,30,35)/t19?,23-/m1/s1
InChIKeyNNOPECUOUOLECT-LEQGEALCSA-N
XLogP4.18
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide (CID 144738505) is N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)NC2C[C@H](c3cccc(F)c3)N(c3ccc4nccn4n3)C2)nc2ccccc12.
What is the InChIKey of N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is NNOPECUOUOLECT-LEQGEALCSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-36-24-15-22(31-21-8-3-2-7-20(21)24)27(35)30-19-14-23(17-5-4-6-18(28)13-17)33(16-19)26-10-9-25-29-11-12-34(25)32-26/h2-13,15,19,23H,14,16H2,1H3,(H,30,35)/t19?,23-/m1/s1.
What are the key properties of N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide?
N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-(3-fluorophenyl)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 144738505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).