N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide

C25H27FN4O4 — CID 164554562

IUPACN-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C25H27FN4O4/c1-14(2)34-21-9-19-15(10-30(28-19)25-11-24(3,12-25)33-13-25)7-16(21)22(31)27-18-5-4-6-29(23(18)32)20-8-17(20)26/h4-7,9-10,14,17,20H,8,11-13H2,1-3H3,(H,27,31)/t17-,20+,24?,25?/m1/s1
InChIKeyZGYYNBOVNKZSEB-MULNXWOJSA-N
MW466.51 g/mol
LogP3.80
Rot. Bonds6

About N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide

N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 164554562) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID164554562
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C25H27FN4O4/c1-14(2)34-21-9-19-15(10-30(28-19)25-11-24(3,12-25)33-13-25)7-16(21)22(31)27-18-5-4-6-29(23(18)32)20-8-17(20)26/h4-7,9-10,14,17,20H,8,11-13H2,1-3H3,(H,27,31)/t17-,20+,24?,25?/m1/s1
InChIKeyZGYYNBOVNKZSEB-MULNXWOJSA-N
XLogP3.80
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide with MolForge

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Related Compounds

US9796741, cmp No. 76
CID 118323625
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methyl-2-oxo-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
CID 155438892
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 164554543
N-[1-(fluoromethyl)-2-oxo-3-pyridinyl]-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 169132465
US20240300923, Example 20
CID 169132490
Irak4-IN-30
CID 170227690
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-[2-oxo-1-(1H-pyrazol-4-yl)-3-pyridinyl]indazole-5-carboxamide
CID 170227701
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
N-(1-methyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 177372733
N-(1-cyclobutyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372735
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1-propan-2-yl-3-pyridinyl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372736
N-(1-tert-butyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 177372737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (CID 164554562) is N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is ZGYYNBOVNKZSEB-MULNXWOJSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-14(2)34-21-9-19-15(10-30(28-19)25-11-24(3,12-25)33-13-25)7-16(21)22(31)27-18-5-4-6-29(23(18)32)20-8-17(20)26/h4-7,9-10,14,17,20H,8,11-13H2,1-3H3,(H,27,31)/t17-,20+,24?,25?/m1/s1.
What are the key properties of N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 164554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).