tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate

C32H37FN6O3 — CID 67960074

IUPACtert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C32H37FN6O3/c1-32(2,3)42-31(40)35-24-12-14-38(15-13-24)28-20-34-19-26(36-28)30-25-18-22(21-7-6-8-23(33)17-21)10-11-27(25)39(37-30)29-9-4-5-16-41-29/h6-8,10-11,17-20,24,29H,4-5,9,12-16H2,1-3H3,(H,35,40)
InChIKeyWBJYKAWYOYGISI-UHFFFAOYSA-N
MW572.69 g/mol
LogP6.49
Rot. Bonds5

About tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate (PubChem CID 67960074) has the molecular formula C32H37FN6O3 and a molecular weight of 572.69 g/mol. Its IUPAC name is tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate
PubChem CID67960074
Molecular FormulaC32H37FN6O3
Molecular Weight572.69 g/mol
Exact Mass572.29
IUPAC Nametert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C32H37FN6O3/c1-32(2,3)42-31(40)35-24-12-14-38(15-13-24)28-20-34-19-26(36-28)30-25-18-22(21-7-6-8-23(33)17-21)10-11-27(25)39(37-30)29-9-4-5-16-41-29/h6-8,10-11,17-20,24,29H,4-5,9,12-16H2,1-3H3,(H,35,40)
InChIKeyWBJYKAWYOYGISI-UHFFFAOYSA-N
XLogP6.49
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.69
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate (CID 67960074) is tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1.
What is the InChIKey of tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The InChIKey is WBJYKAWYOYGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O3/c1-32(2,3)42-31(40)35-24-12-14-38(15-13-24)28-20-34-19-26(36-28)30-25-18-22(21-7-6-8-23(33)17-21)10-11-27(25)39(37-30)29-9-4-5-16-41-29/h6-8,10-11,17-20,24,29H,4-5,9,12-16H2,1-3H3,(H,35,40).
What are the key properties of tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 572.69 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 67960074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).