[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

C35H38BrF2N7O5 — CID 166471952

IUPAC[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
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(Br)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C35H38BrF2N7O5/c1-20(2)49-31-17-29-21(14-25(31)33(46)40-28-4-3-9-44(34(28)47)30-16-26(30)37)19-45(41-29)23-5-10-43(11-6-23)35(48)50-24-7-12-42(13-8-24)32-27(38)15-22(36)18-39-32/h3-4,9,14-15,17-20,23-24,26,30H,5-8,10-13,16H2,1-2H3,(H,40,46)/t26-,30+/m1/s1
InChIKeyNQVHJWWNELBOIH-VIZCGCQYSA-N
MW754.63 g/mol
LogP6.26
Rot. Bonds8

About [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

[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 (PubChem CID 166471952) has the molecular formula C35H38BrF2N7O5 and a molecular weight of 754.63 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID166471952
Molecular FormulaC35H38BrF2N7O5
Molecular Weight754.63 g/mol
Exact Mass753.21
IUPAC Name[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
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(Br)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C35H38BrF2N7O5/c1-20(2)49-31-17-29-21(14-25(31)33(46)40-28-4-3-9-44(34(28)47)30-16-26(30)37)19-45(41-29)23-5-10-43(11-6-23)35(48)50-24-7-12-42(13-8-24)32-27(38)15-22(36)18-39-32/h3-4,9,14-15,17-20,23-24,26,30H,5-8,10-13,16H2,1-2H3,(H,40,46)/t26-,30+/m1/s1
InChIKeyNQVHJWWNELBOIH-VIZCGCQYSA-N
XLogP6.26
TPSA123.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.63
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[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
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
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
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
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
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
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
2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167136925
2-[4-[2-(1-hydroxyethyl)imidazol-1-yl]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227839
2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)indazole-5-carboxamide
CID 170227651
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)Oc1cc2nn(C3CCN(C(=O)OC4CCN(c5ncc(Br)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of [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?
The InChIKey is NQVHJWWNELBOIH-VIZCGCQYSA-N. The full InChI is InChI=1S/C35H38BrF2N7O5/c1-20(2)49-31-17-29-21(14-25(31)33(46)40-28-4-3-9-44(34(28)47)30-16-26(30)37)19-45(41-29)23-5-10-43(11-6-23)35(48)50-24-7-12-42(13-8-24)32-27(38)15-22(36)18-39-32/h3-4,9,14-15,17-20,23-24,26,30H,5-8,10-13,16H2,1-2H3,(H,40,46)/t26-,30+/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 754.63 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 166471952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).