N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide

C24H28FN5O4 — CID 142501074

IUPACN-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnn2c(C(=O)Nc3cc4c(cc3OC(C)C)C(=O)N(C[C@@H](F)C(C)(C)O)C4)cnc2c1
InChIInChI=1S/C24H28FN5O4/c1-13(2)34-19-8-16-15(11-29(23(16)32)12-20(25)24(4,5)33)7-17(19)28-22(31)18-10-26-21-6-14(3)9-27-30(18)21/h6-10,13,20,33H,11-12H2,1-5H3,(H,28,31)/t20-/m1/s1
InChIKeyPXEFNZQFCSQYSB-HXUWFJFHSA-N
MW469.52 g/mol
LogP3.14
Rot. Bonds7

About N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 142501074) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID142501074
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC NameN-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnn2c(C(=O)Nc3cc4c(cc3OC(C)C)C(=O)N(C[C@@H](F)C(C)(C)O)C4)cnc2c1
InChIInChI=1S/C24H28FN5O4/c1-13(2)34-19-8-16-15(11-29(23(16)32)12-20(25)24(4,5)33)7-17(19)28-22(31)18-10-26-21-6-14(3)9-27-30(18)21/h6-10,13,20,33H,11-12H2,1-5H3,(H,28,31)/t20-/m1/s1
InChIKeyPXEFNZQFCSQYSB-HXUWFJFHSA-N
XLogP3.14
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 142501074) is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1cnn2c(C(=O)Nc3cc4c(cc3OC(C)C)C(=O)N(C[C@@H](F)C(C)(C)O)C4)cnc2c1.
What is the InChIKey of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PXEFNZQFCSQYSB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-13(2)34-19-8-16-15(11-29(23(16)32)12-20(25)24(4,5)33)7-17(19)28-22(31)18-10-26-21-6-14(3)9-27-30(18)21/h6-10,13,20,33H,11-12H2,1-5H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide?
N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]-7-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 142501074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).