1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one

C26H33FN4O3 — CID 175548939

IUPAC1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
SMILESCC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1CNc1cccn(C2C[C@@H]2F)c1=O
InChIInChI=1S/C26H33FN4O3/c1-16(2)34-25-12-23-19(14-31(29-23)20-7-5-17(15-32)6-8-20)10-18(25)13-28-22-4-3-9-30(26(22)33)24-11-21(24)27/h3-4,9-10,12,14,16-17,20-21,24,28,32H,5-8,11,13,15H2,1-2H3/t17?,20?,21-,24?/m0/s1
InChIKeyGZBMLHQQSASBSJ-ILRYILGXSA-N
MW468.57 g/mol
LogP4.60
Rot. Bonds8

About 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one

1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one (PubChem CID 175548939) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
PubChem CID175548939
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Name1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
SMILESCC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1CNc1cccn(C2C[C@@H]2F)c1=O
InChIInChI=1S/C26H33FN4O3/c1-16(2)34-25-12-23-19(14-31(29-23)20-7-5-17(15-32)6-8-20)10-18(25)13-28-22-4-3-9-30(26(22)33)24-11-21(24)27/h3-4,9-10,12,14,16-17,20-21,24,28,32H,5-8,11,13,15H2,1-2H3/t17?,20?,21-,24?/m0/s1
InChIKeyGZBMLHQQSASBSJ-ILRYILGXSA-N
XLogP4.60
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 166472178
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167308702
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471952
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxamide
CID 169223724
[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471924
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
N-[1-[(1R,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 167137250
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
CID 162721663

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one?
The IUPAC name of 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one (CID 175548939) is 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one?
The canonical SMILES for 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one is CC(C)Oc1cc2nn(C3CCC(CO)CC3)cc2cc1CNc1cccn(C2C[C@@H]2F)c1=O.
What is the InChIKey of 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one?
The InChIKey is GZBMLHQQSASBSJ-ILRYILGXSA-N. The full InChI is InChI=1S/C26H33FN4O3/c1-16(2)34-25-12-23-19(14-31(29-23)20-7-5-17(15-32)6-8-20)10-18(25)13-28-22-4-3-9-30(26(22)33)24-11-21(24)27/h3-4,9-10,12,14,16-17,20-21,24,28,32H,5-8,11,13,15H2,1-2H3/t17?,20?,21-,24?/m0/s1.
What are the key properties of 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one?
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one has a molecular weight of 468.57 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one is sourced from PubChem (CID 175548939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).